N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]cyclopentanamine;hydrochloride

C24H28ClNO — CID 17054828

IUPACN-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]cyclopentanamine;hydrochloride
SMILESCc1ccc(COc2ccc3ccccc3c2CNC2CCCC2)cc1.Cl
InChIInChI=1S/C24H27NO.ClH/c1-18-10-12-19(13-11-18)17-26-24-15-14-20-6-2-5-9-22(20)23(24)16-25-21-7-3-4-8-21;/h2,5-6,9-15,21,25H,3-4,7-8,16-17H2,1H3;1H
InChIKeyYEJDIQLYIQVPEY-UHFFFAOYSA-N
MW381.95 g/mol
LogP6.18
Rot. Bonds6

About N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]cyclopentanamine;hydrochloride

N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]cyclopentanamine;hydrochloride (PubChem CID 17054828) has the molecular formula C24H28ClNO and a molecular weight of 381.95 g/mol. Its IUPAC name is N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]cyclopentanamine;hydrochloride.

Molecular Properties

Compound NameN-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]cyclopentanamine;hydrochloride
PubChem CID17054828
Molecular FormulaC24H28ClNO
Molecular Weight381.95 g/mol
Exact Mass381.19
IUPAC NameN-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]cyclopentanamine;hydrochloride
SMILESCc1ccc(COc2ccc3ccccc3c2CNC2CCCC2)cc1.Cl
InChIInChI=1S/C24H27NO.ClH/c1-18-10-12-19(13-11-18)17-26-24-15-14-20-6-2-5-9-22(20)23(24)16-25-21-7-3-4-8-21;/h2,5-6,9-15,21,25H,3-4,7-8,16-17H2,1H3;1H
InChIKeyYEJDIQLYIQVPEY-UHFFFAOYSA-N
XLogP6.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.95
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-phenylmethoxynaphthalen-1-yl)methyl]cyclohexanamine
CID 4721414
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]cyclohexanamine;hydrochloride
CID 17296016
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 17054851
1-benzyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]piperidin-4-amine;dihydrochloride
CID 17159055
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]cyclohexanamine
CID 4715827
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 17054825
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride
CID 17054858
1-(2-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
CID 17208275
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]cycloheptanamine;hydrochloride
CID 17294822
(2S)-1-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
CID 29186721
3-ethoxy-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]propan-1-amine
CID 17054847
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]cyclopropanamine
CID 4721070

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]cyclopentanamine;hydrochloride?
The IUPAC name of N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]cyclopentanamine;hydrochloride (CID 17054828) is N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]cyclopentanamine;hydrochloride.
What is the SMILES notation for N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]cyclopentanamine;hydrochloride?
The canonical SMILES for N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]cyclopentanamine;hydrochloride is Cc1ccc(COc2ccc3ccccc3c2CNC2CCCC2)cc1.Cl.
What is the InChIKey of N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]cyclopentanamine;hydrochloride?
The InChIKey is YEJDIQLYIQVPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO.ClH/c1-18-10-12-19(13-11-18)17-26-24-15-14-20-6-2-5-9-22(20)23(24)16-25-21-7-3-4-8-21;/h2,5-6,9-15,21,25H,3-4,7-8,16-17H2,1H3;1H.
What are the key properties of N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]cyclopentanamine;hydrochloride?
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]cyclopentanamine;hydrochloride has a molecular weight of 381.95 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]cyclopentanamine;hydrochloride is sourced from PubChem (CID 17054828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).