N-[[2-[2-(4-methoxyphenyl)ethyl]cyclohexyl]methyl]propan-2-amine

C19H31NO — CID 81027041

IUPACN-[[2-[2-(4-methoxyphenyl)ethyl]cyclohexyl]methyl]propan-2-amine
SMILESCOc1ccc(CCC2CCCCC2CNC(C)C)cc1
InChIInChI=1S/C19H31NO/c1-15(2)20-14-18-7-5-4-6-17(18)11-8-16-9-12-19(21-3)13-10-16/h9-10,12-13,15,17-18,20H,4-8,11,14H2,1-3H3
InChIKeyUHUXSRDHGSGCQQ-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.43
Rot. Bonds7

About N-[[2-[2-(4-methoxyphenyl)ethyl]cyclohexyl]methyl]propan-2-amine

N-[[2-[2-(4-methoxyphenyl)ethyl]cyclohexyl]methyl]propan-2-amine (PubChem CID 81027041) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[[2-[2-(4-methoxyphenyl)ethyl]cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-(4-methoxyphenyl)ethyl]cyclohexyl]methyl]propan-2-amine
PubChem CID81027041
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[[2-[2-(4-methoxyphenyl)ethyl]cyclohexyl]methyl]propan-2-amine
SMILESCOc1ccc(CCC2CCCCC2CNC(C)C)cc1
InChIInChI=1S/C19H31NO/c1-15(2)20-14-18-7-5-4-6-17(18)11-8-16-9-12-19(21-3)13-10-16/h9-10,12-13,15,17-18,20H,4-8,11,14H2,1-3H3
InChIKeyUHUXSRDHGSGCQQ-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[2-(4-methoxyphenyl)ethyl]cycloheptyl]methanamine
CID 81010620
N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine
CID 43775517
2-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]cyclohexan-1-ol
CID 64928817
N-[[2-[(2-bromo-5-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81027318
N-[[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methyl]propan-2-amine
CID 11098201
N-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine
CID 43755987
N-[[2-[(4-bromophenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81025704
3-[2-(4-methoxyphenyl)ethyl]cycloheptan-1-amine
CID 65443041
[2-[2-(4-methoxyphenyl)ethyl]-4-methylcyclohexyl]methanamine
CID 81011075
(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371290
N-[[2-[(4-ethylphenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81033706
2-(cyclopentylmethyl)-3-(4-methoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 63523515

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(4-methoxyphenyl)ethyl]cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[2-(4-methoxyphenyl)ethyl]cyclohexyl]methyl]propan-2-amine (CID 81027041) is N-[[2-[2-(4-methoxyphenyl)ethyl]cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[2-(4-methoxyphenyl)ethyl]cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[2-(4-methoxyphenyl)ethyl]cyclohexyl]methyl]propan-2-amine is COc1ccc(CCC2CCCCC2CNC(C)C)cc1.
What is the InChIKey of N-[[2-[2-(4-methoxyphenyl)ethyl]cyclohexyl]methyl]propan-2-amine?
The InChIKey is UHUXSRDHGSGCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-15(2)20-14-18-7-5-4-6-17(18)11-8-16-9-12-19(21-3)13-10-16/h9-10,12-13,15,17-18,20H,4-8,11,14H2,1-3H3.
What are the key properties of N-[[2-[2-(4-methoxyphenyl)ethyl]cyclohexyl]methyl]propan-2-amine?
N-[[2-[2-(4-methoxyphenyl)ethyl]cyclohexyl]methyl]propan-2-amine has a molecular weight of 289.46 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(4-methoxyphenyl)ethyl]cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81027041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).