N-benzyl-N-(2-phenylethyl)cyclohexanamine

C21H27N — CID 35215800

IUPACN-benzyl-N-(2-phenylethyl)cyclohexanamine
SMILESc1ccc(CCN(Cc2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C21H27N/c1-4-10-19(11-5-1)16-17-22(21-14-8-3-9-15-21)18-20-12-6-2-7-13-20/h1-2,4-7,10-13,21H,3,8-9,14-18H2
InChIKeyAJURAMUBBVSAMS-UHFFFAOYSA-N
MW293.45 g/mol
LogP5.06
Rot. Bonds6

About N-benzyl-N-(2-phenylethyl)cyclohexanamine

N-benzyl-N-(2-phenylethyl)cyclohexanamine (PubChem CID 35215800) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is N-benzyl-N-(2-phenylethyl)cyclohexanamine.

Molecular Properties

Compound NameN-benzyl-N-(2-phenylethyl)cyclohexanamine
PubChem CID35215800
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC NameN-benzyl-N-(2-phenylethyl)cyclohexanamine
SMILESc1ccc(CCN(Cc2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C21H27N/c1-4-10-19(11-5-1)16-17-22(21-14-8-3-9-15-21)18-20-12-6-2-7-13-20/h1-2,4-7,10-13,21H,3,8-9,14-18H2
InChIKeyAJURAMUBBVSAMS-UHFFFAOYSA-N
XLogP5.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dibenzylcyclobutanamine
CID 70822586
4-[2-[benzyl(cyclopropyl)amino]ethyl]aniline
CID 43575140
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CID 82327522
N-benzyl-N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine
CID 118109140
N-benzyl-N-(2-phenylethyl)piperidin-4-amine;hydroxy(phenyl)sulfanium
CID 144852641
N-cyclohexyl-N-(2-phenylethyl)formamide
CID 87224609
4-N-benzyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine
CID 23882631
N-benzyl-1-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
CID 118109308
N,N-bis(2-phenylethyl)piperidin-4-amine
CID 118109179
N'-cyclohexyl-N'-(4-phenylbutyl)ethane-1,2-diamine
CID 114334768
N-benzyl-N-(pyridin-2-ylmethyl)cyclohexanamine
CID 71881409
N-benzyl-N-bromocyclohexanamine
CID 140997611

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-phenylethyl)cyclohexanamine?
The IUPAC name of N-benzyl-N-(2-phenylethyl)cyclohexanamine (CID 35215800) is N-benzyl-N-(2-phenylethyl)cyclohexanamine.
What is the SMILES notation for N-benzyl-N-(2-phenylethyl)cyclohexanamine?
The canonical SMILES for N-benzyl-N-(2-phenylethyl)cyclohexanamine is c1ccc(CCN(Cc2ccccc2)C2CCCCC2)cc1.
What is the InChIKey of N-benzyl-N-(2-phenylethyl)cyclohexanamine?
The InChIKey is AJURAMUBBVSAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-4-10-19(11-5-1)16-17-22(21-14-8-3-9-15-21)18-20-12-6-2-7-13-20/h1-2,4-7,10-13,21H,3,8-9,14-18H2.
What are the key properties of N-benzyl-N-(2-phenylethyl)cyclohexanamine?
N-benzyl-N-(2-phenylethyl)cyclohexanamine has a molecular weight of 293.45 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-phenylethyl)cyclohexanamine is sourced from PubChem (CID 35215800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).