(4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine

C17H26ClNO — CID 79697209

IUPAC(4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
SMILESCOc1cc(C(N)C2CCC(C(C)C)CC2)ccc1Cl
InChIInChI=1S/C17H26ClNO/c1-11(2)12-4-6-13(7-5-12)17(19)14-8-9-15(18)16(10-14)20-3/h8-13,17H,4-7,19H2,1-3H3
InChIKeyAYUZXTRZRWCXTO-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.81
Rot. Bonds4

About (4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine

(4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine (PubChem CID 79697209) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
PubChem CID79697209
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name(4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
SMILESCOc1cc(C(N)C2CCC(C(C)C)CC2)ccc1Cl
InChIInChI=1S/C17H26ClNO/c1-11(2)12-4-6-13(7-5-12)17(19)14-8-9-15(18)16(10-14)20-3/h8-13,17H,4-7,19H2,1-3H3
InChIKeyAYUZXTRZRWCXTO-UHFFFAOYSA-N
XLogP4.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 79699671
(4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanamine
CID 105006851
(4-chloro-3-methoxyphenyl)-(oxolan-2-yl)methanamine
CID 79699913
(4-chloro-3-methoxyphenyl)-(thiolan-3-yl)methanol
CID 105111122
cyclopentyl-(4-methoxy-3-propan-2-ylphenyl)methanamine
CID 82086619
(4-chloro-3-methoxyphenyl)-cyclopentylmethanol
CID 79699326
1-(4-chloro-3-methoxyphenyl)-2-cyclobutylethanamine
CID 103169066
5-[(R)-amino(cyclopropyl)methyl]-2-methoxyphenol
CID 55254634
(S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine
CID 171231843
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 79700112
[(4-chloro-3-methoxyphenyl)-(thiolan-3-yl)methyl]hydrazine
CID 105320870
1-chloro-4-(difluoromethyl)-2-methoxybenzene
CID 84664383

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine?
The IUPAC name of (4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine (CID 79697209) is (4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine is COc1cc(C(N)C2CCC(C(C)C)CC2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine?
The InChIKey is AYUZXTRZRWCXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-11(2)12-4-6-13(7-5-12)17(19)14-8-9-15(18)16(10-14)20-3/h8-13,17H,4-7,19H2,1-3H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine?
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine has a molecular weight of 295.85 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine is sourced from PubChem (CID 79697209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).