1-cyclohexyl-N-methyl-4-phenoxybutan-2-amine

C17H27NO — CID 62608476

IUPAC1-cyclohexyl-N-methyl-4-phenoxybutan-2-amine
SMILESCNC(CCOc1ccccc1)CC1CCCCC1
InChIInChI=1S/C17H27NO/c1-18-16(14-15-8-4-2-5-9-15)12-13-19-17-10-6-3-7-11-17/h3,6-7,10-11,15-16,18H,2,4-5,8-9,12-14H2,1H3
InChIKeyDMFJVRNBSYUQHL-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.01
Rot. Bonds7

About 1-cyclohexyl-N-methyl-4-phenoxybutan-2-amine

1-cyclohexyl-N-methyl-4-phenoxybutan-2-amine (PubChem CID 62608476) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-cyclohexyl-N-methyl-4-phenoxybutan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-methyl-4-phenoxybutan-2-amine
PubChem CID62608476
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-cyclohexyl-N-methyl-4-phenoxybutan-2-amine
SMILESCNC(CCOc1ccccc1)CC1CCCCC1
InChIInChI=1S/C17H27NO/c1-18-16(14-15-8-4-2-5-9-15)12-13-19-17-10-6-3-7-11-17/h3,6-7,10-11,15-16,18H,2,4-5,8-9,12-14H2,1H3
InChIKeyDMFJVRNBSYUQHL-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-methyl-3-phenoxypropan-2-amine
CID 62716713
1-cyclohexyl-4-phenoxy-N-propylbutan-2-amine
CID 63414368
1-cycloheptyl-N-methyl-3-phenylpropan-2-amine
CID 114458143
N,5-dimethyl-1-phenoxyhexan-3-amine
CID 60799426
1-cycloheptyl-3-phenoxypropan-1-ol
CID 82931193
N-methyl-1-phenoxy-5-phenylpentan-3-amine
CID 60798158
1-cyclohexyl-3-phenoxy-N-propylpropan-1-amine
CID 60798313
N-methyl-1-phenoxynonan-3-amine
CID 55094999
2-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine
CID 112569843
1-cyclohexyl-5-ethoxy-N-methylpentan-2-amine
CID 105135620
cyclohexylmethoxybenzene
CID 14399287
N-methyl-5-methylidene-1-phenoxyheptan-3-amine
CID 66046491

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methyl-4-phenoxybutan-2-amine?
The IUPAC name of 1-cyclohexyl-N-methyl-4-phenoxybutan-2-amine (CID 62608476) is 1-cyclohexyl-N-methyl-4-phenoxybutan-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-methyl-4-phenoxybutan-2-amine?
The canonical SMILES for 1-cyclohexyl-N-methyl-4-phenoxybutan-2-amine is CNC(CCOc1ccccc1)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-methyl-4-phenoxybutan-2-amine?
The InChIKey is DMFJVRNBSYUQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-18-16(14-15-8-4-2-5-9-15)12-13-19-17-10-6-3-7-11-17/h3,6-7,10-11,15-16,18H,2,4-5,8-9,12-14H2,1H3.
What are the key properties of 1-cyclohexyl-N-methyl-4-phenoxybutan-2-amine?
1-cyclohexyl-N-methyl-4-phenoxybutan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methyl-4-phenoxybutan-2-amine is sourced from PubChem (CID 62608476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).