N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]cyclohexanamine

C22H29NO — CID 23276329

IUPACN-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]cyclohexanamine
SMILESCc1ccc(C(OCCNC2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C22H29NO/c1-18-12-14-20(15-13-18)22(19-8-4-2-5-9-19)24-17-16-23-21-10-6-3-7-11-21/h2,4-5,8-9,12-15,21-23H,3,6-7,10-11,16-17H2,1H3
InChIKeyRZTDBKXTYJIPNV-UHFFFAOYSA-N
MW323.48 g/mol
LogP5.02
Rot. Bonds7

About N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]cyclohexanamine

N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]cyclohexanamine (PubChem CID 23276329) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]cyclohexanamine
PubChem CID23276329
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC NameN-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]cyclohexanamine
SMILESCc1ccc(C(OCCNC2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C22H29NO/c1-18-12-14-20(15-13-18)22(19-8-4-2-5-9-19)24-17-16-23-21-10-6-3-7-11-21/h2,4-5,8-9,12-15,21-23H,3,6-7,10-11,16-17H2,1H3
InChIKeyRZTDBKXTYJIPNV-UHFFFAOYSA-N
XLogP5.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[phenyl(propoxy)methyl]benzene
CID 54382280
3-(4-methylphenyl)-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]propan-1-amine
CID 121338178
N-[2-(2-methylphenoxy)ethyl]cycloheptanamine
CID 60688107
(6S)-N-(2-benzhydryloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95305414
trimethyl-[2-[(S)-(4-methylphenyl)-phenylmethoxy]ethyl]azanium
CID 786818
(1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol
CID 39350104
N-[4-(4-methylphenoxy)butyl]cyclopentanamine
CID 2948932
1,1-dimethyl-2-[[(4-methylphenyl)-phenylmethoxy]methyl]piperidin-1-ium bromide
CID 3047852
N-(3-phenoxypropyl)cyclohexanamine
CID 60683732
N-[2-(4-methylphenyl)propyl]cyclopentanamine
CID 115641829
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
N,N-dimethyl-2-[(4-methylphenyl)-phenylmethoxy]ethanamine oxide
CID 20838241

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]cyclohexanamine?
The IUPAC name of N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]cyclohexanamine (CID 23276329) is N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]cyclohexanamine?
The canonical SMILES for N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]cyclohexanamine is Cc1ccc(C(OCCNC2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]cyclohexanamine?
The InChIKey is RZTDBKXTYJIPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-18-12-14-20(15-13-18)22(19-8-4-2-5-9-19)24-17-16-23-21-10-6-3-7-11-21/h2,4-5,8-9,12-15,21-23H,3,6-7,10-11,16-17H2,1H3.
What are the key properties of N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]cyclohexanamine?
N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]cyclohexanamine has a molecular weight of 323.48 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]cyclohexanamine is sourced from PubChem (CID 23276329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).