4-cyclopropyl-N-[(2R)-1-(3-phenylmethoxyphenyl)propan-2-yl]aniline;hydrochloride

C25H28ClNO — CID 140941375

IUPAC4-cyclopropyl-N-[(2R)-1-(3-phenylmethoxyphenyl)propan-2-yl]aniline;hydrochloride
SMILESC[C@H](Cc1cccc(OCc2ccccc2)c1)Nc1ccc(C2CC2)cc1.Cl
InChIInChI=1S/C25H27NO.ClH/c1-19(26-24-14-12-23(13-15-24)22-10-11-22)16-21-8-5-9-25(17-21)27-18-20-6-3-2-4-7-20;/h2-9,12-15,17,19,22,26H,10-11,16,18H2,1H3;1H/t19-;/m1./s1
InChIKeyGYJXECKTOLDPCQ-FSRHSHDFSA-N
MW393.96 g/mol
LogP6.61
Rot. Bonds8

About 4-cyclopropyl-N-[(2R)-1-(3-phenylmethoxyphenyl)propan-2-yl]aniline;hydrochloride

4-cyclopropyl-N-[(2R)-1-(3-phenylmethoxyphenyl)propan-2-yl]aniline;hydrochloride (PubChem CID 140941375) has the molecular formula C25H28ClNO and a molecular weight of 393.96 g/mol. Its IUPAC name is 4-cyclopropyl-N-[(2R)-1-(3-phenylmethoxyphenyl)propan-2-yl]aniline;hydrochloride.

Molecular Properties

Compound Name4-cyclopropyl-N-[(2R)-1-(3-phenylmethoxyphenyl)propan-2-yl]aniline;hydrochloride
PubChem CID140941375
Molecular FormulaC25H28ClNO
Molecular Weight393.96 g/mol
Exact Mass393.19
IUPAC Name4-cyclopropyl-N-[(2R)-1-(3-phenylmethoxyphenyl)propan-2-yl]aniline;hydrochloride
SMILESC[C@H](Cc1cccc(OCc2ccccc2)c1)Nc1ccc(C2CC2)cc1.Cl
InChIInChI=1S/C25H27NO.ClH/c1-19(26-24-14-12-23(13-15-24)22-10-11-22)16-21-8-5-9-25(17-21)27-18-20-6-3-2-4-7-20;/h2-9,12-15,17,19,22,26H,10-11,16,18H2,1H3;1H/t19-;/m1./s1
InChIKeyGYJXECKTOLDPCQ-FSRHSHDFSA-N
XLogP6.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.96
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-phenylmethoxyphenyl)-N-(1,2,2-trifluoroethyl)propan-2-amine
CID 175392263
4-chloro-N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]aniline
CID 156894830
(2R)-2-[(3-phenylmethoxyphenyl)methylamino]propanoic acid
CID 95003342
4-(4-phenylmethoxyphenyl)cyclohexan-1-ol
CID 19602799
4-[(3-phenylmethoxyphenyl)methylamino]butan-2-ol
CID 111336616
N-[(3-phenylmethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17208880
3-methyl-2-[(3-phenylmethoxyphenyl)methylamino]butanoic acid
CID 66527226
N-[(4-cyclohexylphenyl)methyl]-4-phenylmethoxyaniline
CID 90023157
(2S)-2-[(3-phenylmethoxyphenyl)methylamino]propanamide
CID 10708191
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801649
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452
4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline
CID 126128104

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[(2R)-1-(3-phenylmethoxyphenyl)propan-2-yl]aniline;hydrochloride?
The IUPAC name of 4-cyclopropyl-N-[(2R)-1-(3-phenylmethoxyphenyl)propan-2-yl]aniline;hydrochloride (CID 140941375) is 4-cyclopropyl-N-[(2R)-1-(3-phenylmethoxyphenyl)propan-2-yl]aniline;hydrochloride.
What is the SMILES notation for 4-cyclopropyl-N-[(2R)-1-(3-phenylmethoxyphenyl)propan-2-yl]aniline;hydrochloride?
The canonical SMILES for 4-cyclopropyl-N-[(2R)-1-(3-phenylmethoxyphenyl)propan-2-yl]aniline;hydrochloride is C[C@H](Cc1cccc(OCc2ccccc2)c1)Nc1ccc(C2CC2)cc1.Cl.
What is the InChIKey of 4-cyclopropyl-N-[(2R)-1-(3-phenylmethoxyphenyl)propan-2-yl]aniline;hydrochloride?
The InChIKey is GYJXECKTOLDPCQ-FSRHSHDFSA-N. The full InChI is InChI=1S/C25H27NO.ClH/c1-19(26-24-14-12-23(13-15-24)22-10-11-22)16-21-8-5-9-25(17-21)27-18-20-6-3-2-4-7-20;/h2-9,12-15,17,19,22,26H,10-11,16,18H2,1H3;1H/t19-;/m1./s1.
What are the key properties of 4-cyclopropyl-N-[(2R)-1-(3-phenylmethoxyphenyl)propan-2-yl]aniline;hydrochloride?
4-cyclopropyl-N-[(2R)-1-(3-phenylmethoxyphenyl)propan-2-yl]aniline;hydrochloride has a molecular weight of 393.96 g/mol, XLogP of 6.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[(2R)-1-(3-phenylmethoxyphenyl)propan-2-yl]aniline;hydrochloride is sourced from PubChem (CID 140941375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).