4-(4-cyclohexyloxyphenyl)-N-methylbutan-2-amine

C17H27NO — CID 43279731

IUPAC4-(4-cyclohexyloxyphenyl)-N-methylbutan-2-amine
SMILESCNC(C)CCc1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C17H27NO/c1-14(18-2)8-9-15-10-12-17(13-11-15)19-16-6-4-3-5-7-16/h10-14,16,18H,3-9H2,1-2H3
InChIKeyBVGJBKUNUYNHKT-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.94
Rot. Bonds6

About 4-(4-cyclohexyloxyphenyl)-N-methylbutan-2-amine

4-(4-cyclohexyloxyphenyl)-N-methylbutan-2-amine (PubChem CID 43279731) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-(4-cyclohexyloxyphenyl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-(4-cyclohexyloxyphenyl)-N-methylbutan-2-amine
PubChem CID43279731
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-(4-cyclohexyloxyphenyl)-N-methylbutan-2-amine
SMILESCNC(C)CCc1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C17H27NO/c1-14(18-2)8-9-15-10-12-17(13-11-15)19-16-6-4-3-5-7-16/h10-14,16,18H,3-9H2,1-2H3
InChIKeyBVGJBKUNUYNHKT-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-cyclopentyloxyphenyl)butan-2-amine
CID 16782847
3-(4-cyclopentyloxyphenyl)-N-methylpropan-1-amine
CID 95449970
1-cyclobutyloxy-4-propylbenzene
CID 178141621
4-[4-(cyclopropylmethoxymethoxy)phenyl]-N-methylbutan-2-amine
CID 106929163
(1R)-1-(4-cyclopentyloxyphenyl)-N-methylethanamine
CID 93007238
(2R)-4-(4-ethoxyphenyl)-N-methylbutan-2-amine
CID 93007407
1-[(4-cyclopentyloxyphenyl)methylamino]propan-2-ol
CID 112513393
N-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine
CID 43755987
1-(4-cyclopentyloxyphenyl)propan-2-ol
CID 80502782
1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-propan-2-ylurea
CID 110775776
1-(4-cyclobutyloxyphenyl)-N-methylethanamine
CID 62139894
4-cycloheptyloxy-N-methylaniline
CID 82930112

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexyloxyphenyl)-N-methylbutan-2-amine?
The IUPAC name of 4-(4-cyclohexyloxyphenyl)-N-methylbutan-2-amine (CID 43279731) is 4-(4-cyclohexyloxyphenyl)-N-methylbutan-2-amine.
What is the SMILES notation for 4-(4-cyclohexyloxyphenyl)-N-methylbutan-2-amine?
The canonical SMILES for 4-(4-cyclohexyloxyphenyl)-N-methylbutan-2-amine is CNC(C)CCc1ccc(OC2CCCCC2)cc1.
What is the InChIKey of 4-(4-cyclohexyloxyphenyl)-N-methylbutan-2-amine?
The InChIKey is BVGJBKUNUYNHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(18-2)8-9-15-10-12-17(13-11-15)19-16-6-4-3-5-7-16/h10-14,16,18H,3-9H2,1-2H3.
What are the key properties of 4-(4-cyclohexyloxyphenyl)-N-methylbutan-2-amine?
4-(4-cyclohexyloxyphenyl)-N-methylbutan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexyloxyphenyl)-N-methylbutan-2-amine is sourced from PubChem (CID 43279731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).