N-[(2-phenylmethoxynaphthalen-1-yl)methyl]cyclohexanamine

C24H27NO — CID 4721414

IUPACN-[(2-phenylmethoxynaphthalen-1-yl)methyl]cyclohexanamine
SMILESc1ccc(COc2ccc3ccccc3c2CNC2CCCCC2)cc1
InChIInChI=1S/C24H27NO/c1-3-9-19(10-4-1)18-26-24-16-15-20-11-7-8-14-22(20)23(24)17-25-21-12-5-2-6-13-21/h1,3-4,7-11,14-16,21,25H,2,5-6,12-13,17-18H2
InChIKeyBZPOPJZJFIFJCR-UHFFFAOYSA-N
MW345.49 g/mol
LogP5.84
Rot. Bonds6

About N-[(2-phenylmethoxynaphthalen-1-yl)methyl]cyclohexanamine

N-[(2-phenylmethoxynaphthalen-1-yl)methyl]cyclohexanamine (PubChem CID 4721414) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[(2-phenylmethoxynaphthalen-1-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(2-phenylmethoxynaphthalen-1-yl)methyl]cyclohexanamine
PubChem CID4721414
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC NameN-[(2-phenylmethoxynaphthalen-1-yl)methyl]cyclohexanamine
SMILESc1ccc(COc2ccc3ccccc3c2CNC2CCCCC2)cc1
InChIInChI=1S/C24H27NO/c1-3-9-19(10-4-1)18-26-24-16-15-20-11-7-8-14-22(20)23(24)17-25-21-12-5-2-6-13-21/h1,3-4,7-11,14-16,21,25H,2,5-6,12-13,17-18H2
InChIKeyBZPOPJZJFIFJCR-UHFFFAOYSA-N
XLogP5.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]cyclohexanamine;hydrochloride
CID 17296016
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]cyclopentanamine;hydrochloride
CID 17054828
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-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]cycloheptanamine;hydrochloride
CID 17294822
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]cyclopropanamine
CID 4721070
N-[[1-[(cyclohexylamino)methyl]naphthalen-2-yl]methyl]cyclohexanamine
CID 154130289
N-[[2-(2-fluoroethoxy)naphthalen-1-yl]methyl]cyclopropanamine
CID 80698952
N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride
CID 17155735
N-tert-butyl-2-[1-[(cyclooctylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053729
1-[1-[(cyclopropylamino)methyl]naphthalen-2-yl]oxypropan-2-ol
CID 60888672
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]cycloheptanamine
CID 4720524

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylmethoxynaphthalen-1-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(2-phenylmethoxynaphthalen-1-yl)methyl]cyclohexanamine (CID 4721414) is N-[(2-phenylmethoxynaphthalen-1-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(2-phenylmethoxynaphthalen-1-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(2-phenylmethoxynaphthalen-1-yl)methyl]cyclohexanamine is c1ccc(COc2ccc3ccccc3c2CNC2CCCCC2)cc1.
What is the InChIKey of N-[(2-phenylmethoxynaphthalen-1-yl)methyl]cyclohexanamine?
The InChIKey is BZPOPJZJFIFJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO/c1-3-9-19(10-4-1)18-26-24-16-15-20-11-7-8-14-22(20)23(24)17-25-21-12-5-2-6-13-21/h1,3-4,7-11,14-16,21,25H,2,5-6,12-13,17-18H2.
What are the key properties of N-[(2-phenylmethoxynaphthalen-1-yl)methyl]cyclohexanamine?
N-[(2-phenylmethoxynaphthalen-1-yl)methyl]cyclohexanamine has a molecular weight of 345.49 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylmethoxynaphthalen-1-yl)methyl]cyclohexanamine is sourced from PubChem (CID 4721414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).