N-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine;hydrochloride

C24H34ClNO — CID 18434999

IUPACN-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine;hydrochloride
SMILESCc1cccc(C)c1COCC(CNCC1CC1)c1c(C)cccc1C.Cl
InChIInChI=1S/C24H33NO.ClH/c1-17-7-5-8-18(2)23(17)16-26-15-22(14-25-13-21-11-12-21)24-19(3)9-6-10-20(24)4;/h5-10,21-22,25H,11-16H2,1-4H3;1H
InChIKeyZPTLSEBBJPDMAH-UHFFFAOYSA-N
MW388.00 g/mol
LogP5.64
Rot. Bonds9

About N-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine;hydrochloride

N-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine;hydrochloride (PubChem CID 18434999) has the molecular formula C24H34ClNO and a molecular weight of 388.00 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine;hydrochloride
PubChem CID18434999
Molecular FormulaC24H34ClNO
Molecular Weight388.00 g/mol
Exact Mass387.23
IUPAC NameN-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine;hydrochloride
SMILESCc1cccc(C)c1COCC(CNCC1CC1)c1c(C)cccc1C.Cl
InChIInChI=1S/C24H33NO.ClH/c1-17-7-5-8-18(2)23(17)16-26-15-22(14-25-13-21-11-12-21)24-19(3)9-6-10-20(24)4;/h5-10,21-22,25H,11-16H2,1-4H3;1H
InChIKeyZPTLSEBBJPDMAH-UHFFFAOYSA-N
XLogP5.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.00
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(3-tert-Butyl-5-methyl-benzyloxymethyl)-4-phenyl-piperidine
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3-(Naphthalen-2-yl(propoxy)methyl)azetidine hydrochloride
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4-(3,5-Dimethyl-benzyloxymethyl)-4-phenyl-piperidine
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N-methyl-2-[4-[(2-phenylphenyl)methoxy]piperidin-1-yl]ethanamine
CID 134146985
4-phenyl-N-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]butan-1-amine
CID 164616564
N-(cyclohexylmethyl)-2-[(2R,6S)-6-phenyloxan-2-yl]ethanamine
CID 164623361
4-phenyl-N-[2-[(2S,6R)-6-phenyloxan-2-yl]ethyl]butan-1-amine
CID 164628472
4-(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperidine
CID 121323
Cyclopropylmethyl-[1-(3,5-dimethyl-benzyloxymethyl)-2,2-diphenyl-ethyl]-amine
CID 44299898
[1-(3,5-Dimethyl-benzyloxymethyl)-2,2-diphenyl-ethyl]-methyl-amine
CID 44299943

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine;hydrochloride?
The IUPAC name of N-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine;hydrochloride (CID 18434999) is N-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine;hydrochloride.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine;hydrochloride?
The canonical SMILES for N-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine;hydrochloride is Cc1cccc(C)c1COCC(CNCC1CC1)c1c(C)cccc1C.Cl.
What is the InChIKey of N-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine;hydrochloride?
The InChIKey is ZPTLSEBBJPDMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO.ClH/c1-17-7-5-8-18(2)23(17)16-26-15-22(14-25-13-21-11-12-21)24-19(3)9-6-10-20(24)4;/h5-10,21-22,25H,11-16H2,1-4H3;1H.
What are the key properties of N-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine;hydrochloride?
N-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine;hydrochloride has a molecular weight of 388.00 g/mol, XLogP of 5.64, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine;hydrochloride is sourced from PubChem (CID 18434999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).