[1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine

C19H31NO — CID 65052864

IUPAC[1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine
SMILESCCc1ccc(COC2(CN)CCC(C(C)C)CC2)cc1
InChIInChI=1S/C19H31NO/c1-4-16-5-7-17(8-6-16)13-21-19(14-20)11-9-18(10-12-19)15(2)3/h5-8,15,18H,4,9-14,20H2,1-3H3
InChIKeySDGRMYFQVFUKSO-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.31
Rot. Bonds6

About [1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine

[1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 65052864) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is [1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine
PubChem CID65052864
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name[1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine
SMILESCCc1ccc(COC2(CN)CCC(C(C)C)CC2)cc1
InChIInChI=1S/C19H31NO/c1-4-16-5-7-17(8-6-16)13-21-19(14-20)11-9-18(10-12-19)15(2)3/h5-8,15,18H,4,9-14,20H2,1-3H3
InChIKeySDGRMYFQVFUKSO-UHFFFAOYSA-N
XLogP4.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-ethyl-1-[(4-ethylphenyl)methoxy]cyclohexyl]methanamine
CID 65052704
[1-[(4-bromophenyl)methoxy]-4-propylcyclohexyl]methanamine
CID 82832044
[4-methyl-1-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]methanamine
CID 65050673
(4-tert-butyl-1-phenylmethoxycyclohexyl)methanamine
CID 63473711
[4-propyl-1-(pyridin-4-ylmethoxy)cyclohexyl]methanamine
CID 65052803
[1-[(2-methyltetrazol-5-yl)methoxy]-4-propan-2-ylcyclohexyl]methanamine
CID 107040804
1-(4-ethylphenyl)-4-propan-2-ylcycloheptan-1-ol
CID 65090466
[4-propan-2-yl-1-(2-pyridin-2-ylethoxy)cyclohexyl]methanamine
CID 65052570
[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-propan-2-ylcyclohexyl]methanamine
CID 112587831
(1-phenylmethoxycyclopentyl)methanamine
CID 62107893
[1-[(4-bromophenyl)methoxy]cycloheptyl]methanamine
CID 82832273
[1-[[4-(trifluoromethoxy)phenyl]methoxy]cyclopentyl]methanamine
CID 65051034

Frequently Asked Questions

What is the IUPAC name of [1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine (CID 65052864) is [1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine is CCc1ccc(COC2(CN)CCC(C(C)C)CC2)cc1.
What is the InChIKey of [1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is SDGRMYFQVFUKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-16-5-7-17(8-6-16)13-21-19(14-20)11-9-18(10-12-19)15(2)3/h5-8,15,18H,4,9-14,20H2,1-3H3.
What are the key properties of [1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine?
[1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 289.46 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 65052864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).