3-(3-cyclohexyl-4-methoxyphenyl)butan-1-amine

C17H27NO — CID 117408772

IUPAC3-(3-cyclohexyl-4-methoxyphenyl)butan-1-amine
SMILESCOc1ccc(C(C)CCN)cc1C1CCCCC1
InChIInChI=1S/C17H27NO/c1-13(10-11-18)15-8-9-17(19-2)16(12-15)14-6-4-3-5-7-14/h8-9,12-14H,3-7,10-11,18H2,1-2H3
InChIKeyGDTJXQALZJLLHN-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.20
Rot. Bonds5

About 3-(3-cyclohexyl-4-methoxyphenyl)butan-1-amine

3-(3-cyclohexyl-4-methoxyphenyl)butan-1-amine (PubChem CID 117408772) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-(3-cyclohexyl-4-methoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name3-(3-cyclohexyl-4-methoxyphenyl)butan-1-amine
PubChem CID117408772
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-(3-cyclohexyl-4-methoxyphenyl)butan-1-amine
SMILESCOc1ccc(C(C)CCN)cc1C1CCCCC1
InChIInChI=1S/C17H27NO/c1-13(10-11-18)15-8-9-17(19-2)16(12-15)14-6-4-3-5-7-14/h8-9,12-14H,3-7,10-11,18H2,1-2H3
InChIKeyGDTJXQALZJLLHN-UHFFFAOYSA-N
XLogP4.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dimethoxyphenyl)butan-1-amine
CID 3056378
3-(3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 3056377
3-amino-2-(3-cyclopentyl-4-methoxyphenyl)propanoic acid
CID 117412953
4-chloro-2-cyclohexyl-1-methoxybenzene
CID 71228183
2-cyclopropyl-4-(difluoromethyl)-1-methoxybenzene
CID 151172035
3-[4-methoxy-3-(oxan-4-yloxy)phenyl]butan-1-amine
CID 117448375
3-(3-ethoxy-4-methoxyphenyl)butan-1-amine
CID 116989291
3-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]butan-1-amine
CID 117415717
3-(3-cyclohexyl-4-methoxyphenyl)-2-methylpropanoic acid
CID 117442816
3-[5-(difluoromethyl)-2-methoxyphenyl]butan-1-amine
CID 117330475
1-[1-(3-cyclohexyl-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117436696
3-[4-(1,1-dioxothietan-3-yl)oxy-3-methoxyphenyl]butan-1-amine
CID 117482439

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclohexyl-4-methoxyphenyl)butan-1-amine?
The IUPAC name of 3-(3-cyclohexyl-4-methoxyphenyl)butan-1-amine (CID 117408772) is 3-(3-cyclohexyl-4-methoxyphenyl)butan-1-amine.
What is the SMILES notation for 3-(3-cyclohexyl-4-methoxyphenyl)butan-1-amine?
The canonical SMILES for 3-(3-cyclohexyl-4-methoxyphenyl)butan-1-amine is COc1ccc(C(C)CCN)cc1C1CCCCC1.
What is the InChIKey of 3-(3-cyclohexyl-4-methoxyphenyl)butan-1-amine?
The InChIKey is GDTJXQALZJLLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(10-11-18)15-8-9-17(19-2)16(12-15)14-6-4-3-5-7-14/h8-9,12-14H,3-7,10-11,18H2,1-2H3.
What are the key properties of 3-(3-cyclohexyl-4-methoxyphenyl)butan-1-amine?
3-(3-cyclohexyl-4-methoxyphenyl)butan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclohexyl-4-methoxyphenyl)butan-1-amine is sourced from PubChem (CID 117408772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).