N-(cyclopropylmethyl)-2,3-bis(2,6-dimethylphenyl)-N-methoxypropan-1-amine;hydrochloride

C24H34ClNO — CID 159854214

IUPACN-(cyclopropylmethyl)-2,3-bis(2,6-dimethylphenyl)-N-methoxypropan-1-amine;hydrochloride
SMILESCON(CC1CC1)CC(Cc1c(C)cccc1C)c1c(C)cccc1C.Cl
InChIInChI=1S/C24H33NO.ClH/c1-17-8-6-9-18(2)23(17)14-22(16-25(26-5)15-21-12-13-21)24-19(3)10-7-11-20(24)4;/h6-11,21-22H,12-16H2,1-5H3;1H
InChIKeyNQHXWWWQOXVSJQ-UHFFFAOYSA-N
MW388.00 g/mol
LogP5.94
Rot. Bonds8

About N-(cyclopropylmethyl)-2,3-bis(2,6-dimethylphenyl)-N-methoxypropan-1-amine;hydrochloride

N-(cyclopropylmethyl)-2,3-bis(2,6-dimethylphenyl)-N-methoxypropan-1-amine;hydrochloride (PubChem CID 159854214) has the molecular formula C24H34ClNO and a molecular weight of 388.00 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2,3-bis(2,6-dimethylphenyl)-N-methoxypropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2,3-bis(2,6-dimethylphenyl)-N-methoxypropan-1-amine;hydrochloride
PubChem CID159854214
Molecular FormulaC24H34ClNO
Molecular Weight388.00 g/mol
Exact Mass387.23
IUPAC NameN-(cyclopropylmethyl)-2,3-bis(2,6-dimethylphenyl)-N-methoxypropan-1-amine;hydrochloride
SMILESCON(CC1CC1)CC(Cc1c(C)cccc1C)c1c(C)cccc1C.Cl
InChIInChI=1S/C24H33NO.ClH/c1-17-8-6-9-18(2)23(17)14-22(16-25(26-5)15-21-12-13-21)24-19(3)10-7-11-20(24)4;/h6-11,21-22H,12-16H2,1-5H3;1H
InChIKeyNQHXWWWQOXVSJQ-UHFFFAOYSA-N
XLogP5.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.00
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2,3-bis(2,6-dimethylphenyl)-N-methoxypropan-1-amine;hydrochloride?
The IUPAC name of N-(cyclopropylmethyl)-2,3-bis(2,6-dimethylphenyl)-N-methoxypropan-1-amine;hydrochloride (CID 159854214) is N-(cyclopropylmethyl)-2,3-bis(2,6-dimethylphenyl)-N-methoxypropan-1-amine;hydrochloride.
What is the SMILES notation for N-(cyclopropylmethyl)-2,3-bis(2,6-dimethylphenyl)-N-methoxypropan-1-amine;hydrochloride?
The canonical SMILES for N-(cyclopropylmethyl)-2,3-bis(2,6-dimethylphenyl)-N-methoxypropan-1-amine;hydrochloride is CON(CC1CC1)CC(Cc1c(C)cccc1C)c1c(C)cccc1C.Cl.
What is the InChIKey of N-(cyclopropylmethyl)-2,3-bis(2,6-dimethylphenyl)-N-methoxypropan-1-amine;hydrochloride?
The InChIKey is NQHXWWWQOXVSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO.ClH/c1-17-8-6-9-18(2)23(17)14-22(16-25(26-5)15-21-12-13-21)24-19(3)10-7-11-20(24)4;/h6-11,21-22H,12-16H2,1-5H3;1H.
What are the key properties of N-(cyclopropylmethyl)-2,3-bis(2,6-dimethylphenyl)-N-methoxypropan-1-amine;hydrochloride?
N-(cyclopropylmethyl)-2,3-bis(2,6-dimethylphenyl)-N-methoxypropan-1-amine;hydrochloride has a molecular weight of 388.00 g/mol, XLogP of 5.94, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2,3-bis(2,6-dimethylphenyl)-N-methoxypropan-1-amine;hydrochloride is sourced from PubChem (CID 159854214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).