N-benzyl-N-(cyclohexylmethoxy)-1-phenylmethanamine

C21H27NO — CID 162487705

IUPACN-benzyl-N-(cyclohexylmethoxy)-1-phenylmethanamine
SMILESc1ccc(CN(Cc2ccccc2)OCC2CCCCC2)cc1
InChIInChI=1S/C21H27NO/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)23-18-21-14-8-3-9-15-21/h1-2,4-7,10-13,21H,3,8-9,14-18H2
InChIKeyZZYKDPVBYQGEAQ-UHFFFAOYSA-N
MW309.45 g/mol
LogP5.20
Rot. Bonds7

About N-benzyl-N-(cyclohexylmethoxy)-1-phenylmethanamine

N-benzyl-N-(cyclohexylmethoxy)-1-phenylmethanamine (PubChem CID 162487705) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is N-benzyl-N-(cyclohexylmethoxy)-1-phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-N-(cyclohexylmethoxy)-1-phenylmethanamine
PubChem CID162487705
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC NameN-benzyl-N-(cyclohexylmethoxy)-1-phenylmethanamine
SMILESc1ccc(CN(Cc2ccccc2)OCC2CCCCC2)cc1
InChIInChI=1S/C21H27NO/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)23-18-21-14-8-3-9-15-21/h1-2,4-7,10-13,21H,3,8-9,14-18H2
InChIKeyZZYKDPVBYQGEAQ-UHFFFAOYSA-N
XLogP5.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.45
LogP ≤ 55.20
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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Related Compounds

cyclohexylmethoxybenzene
CID 14399287
benzyl(cyclohexylmethyl)carbamic acid
CID 57063774
1,1-dibenzyl-3-(cyclohexylmethyl)urea
CID 108902903
cyclohexane;N,N-dibenzylhydroxylamine
CID 19709160
N-(2-aminoethyl)-N-benzyl-1-cyclohexylmethanesulfonamide;hydrochloride
CID 120584146
1,3-dibenzylcyclooctane
CID 3045388
2-phenylethylcyclooctane
CID 54073487
N',N'-dibenzyl-N,N-bis(cyclohexylmethyl)but-2-ene-1,4-diamine
CID 57036974
N-benzyl-N-bromocyclohexanamine
CID 140997611
N,N-dibenzylcyclohexanesulfonamide
CID 162418871
cycloheptanamine;phenylmethanamine
CID 162192852
N,N-dibenzyl-2-cyclopentylacetamide
CID 112760283

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(cyclohexylmethoxy)-1-phenylmethanamine?
The IUPAC name of N-benzyl-N-(cyclohexylmethoxy)-1-phenylmethanamine (CID 162487705) is N-benzyl-N-(cyclohexylmethoxy)-1-phenylmethanamine.
What is the SMILES notation for N-benzyl-N-(cyclohexylmethoxy)-1-phenylmethanamine?
The canonical SMILES for N-benzyl-N-(cyclohexylmethoxy)-1-phenylmethanamine is c1ccc(CN(Cc2ccccc2)OCC2CCCCC2)cc1.
What is the InChIKey of N-benzyl-N-(cyclohexylmethoxy)-1-phenylmethanamine?
The InChIKey is ZZYKDPVBYQGEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)23-18-21-14-8-3-9-15-21/h1-2,4-7,10-13,21H,3,8-9,14-18H2.
What are the key properties of N-benzyl-N-(cyclohexylmethoxy)-1-phenylmethanamine?
N-benzyl-N-(cyclohexylmethoxy)-1-phenylmethanamine has a molecular weight of 309.45 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(cyclohexylmethoxy)-1-phenylmethanamine is sourced from PubChem (CID 162487705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).