N-[2-(2-methylpropoxy)ethyl]-4-phenylcyclohexan-1-amine

C18H29NO — CID 115584682

IUPACN-[2-(2-methylpropoxy)ethyl]-4-phenylcyclohexan-1-amine
SMILESCC(C)COCCNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H29NO/c1-15(2)14-20-13-12-19-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-7,15,17-19H,8-14H2,1-2H3
InChIKeyIPXQCPNZHHVPAP-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.97
Rot. Bonds7

About N-[2-(2-methylpropoxy)ethyl]-4-phenylcyclohexan-1-amine

N-[2-(2-methylpropoxy)ethyl]-4-phenylcyclohexan-1-amine (PubChem CID 115584682) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)ethyl]-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)ethyl]-4-phenylcyclohexan-1-amine
PubChem CID115584682
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[2-(2-methylpropoxy)ethyl]-4-phenylcyclohexan-1-amine
SMILESCC(C)COCCNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H29NO/c1-15(2)14-20-13-12-19-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-7,15,17-19H,8-14H2,1-2H3
InChIKeyIPXQCPNZHHVPAP-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.97
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

N-(2-cyclopentyloxyethyl)-4-phenylcyclohexan-1-amine
CID 63824060
4-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 62567459
N-(5-methoxypentyl)-4-phenylcyclohexan-1-amine
CID 103779816
4-ethyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 115584679
2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide
CID 28650865
N-[4-(2-methylpropoxy)butyl]cyclopropanamine
CID 62445498
N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 62443971
N-(2-methylbutyl)-4-phenylcyclohexan-1-amine
CID 43673843
3-[(4-phenylcyclohexyl)amino]propan-1-ol
CID 28714370
3-methyl-1-[(4-phenylcyclohexyl)amino]butan-2-ol
CID 115720405
4-[(4-phenylcyclohexyl)amino]butan-1-ol
CID 106841006
2-methyl-3-[(4-phenylcyclohexyl)amino]propanenitrile
CID 62647435

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropoxy)ethyl]-4-phenylcyclohexan-1-amine?
The IUPAC name of N-[2-(2-methylpropoxy)ethyl]-4-phenylcyclohexan-1-amine (CID 115584682) is N-[2-(2-methylpropoxy)ethyl]-4-phenylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(2-methylpropoxy)ethyl]-4-phenylcyclohexan-1-amine?
The canonical SMILES for N-[2-(2-methylpropoxy)ethyl]-4-phenylcyclohexan-1-amine is CC(C)COCCNC1CCC(c2ccccc2)CC1.
What is the InChIKey of N-[2-(2-methylpropoxy)ethyl]-4-phenylcyclohexan-1-amine?
The InChIKey is IPXQCPNZHHVPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-15(2)14-20-13-12-19-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-7,15,17-19H,8-14H2,1-2H3.
What are the key properties of N-[2-(2-methylpropoxy)ethyl]-4-phenylcyclohexan-1-amine?
N-[2-(2-methylpropoxy)ethyl]-4-phenylcyclohexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropoxy)ethyl]-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 115584682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).