(1S)-1-[4-(4-methylcyclohexyl)oxyphenyl]propan-1-amine

C16H25NO — CID 78999289

IUPAC(1S)-1-[4-(4-methylcyclohexyl)oxyphenyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(OC2CCC(C)CC2)cc1
InChIInChI=1S/C16H25NO/c1-3-16(17)13-6-10-15(11-7-13)18-14-8-4-12(2)5-9-14/h6-7,10-12,14,16H,3-5,8-9,17H2,1-2H3/t12?,14?,16-/m0/s1
InChIKeyVLYNFNCSSGLAKU-PXCJXSSVSA-N
MW247.38 g/mol
LogP4.05
Rot. Bonds4

About (1S)-1-[4-(4-methylcyclohexyl)oxyphenyl]propan-1-amine

(1S)-1-[4-(4-methylcyclohexyl)oxyphenyl]propan-1-amine (PubChem CID 78999289) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (1S)-1-[4-(4-methylcyclohexyl)oxyphenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[4-(4-methylcyclohexyl)oxyphenyl]propan-1-amine
PubChem CID78999289
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(1S)-1-[4-(4-methylcyclohexyl)oxyphenyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(OC2CCC(C)CC2)cc1
InChIInChI=1S/C16H25NO/c1-3-16(17)13-6-10-15(11-7-13)18-14-8-4-12(2)5-9-14/h6-7,10-12,14,16H,3-5,8-9,17H2,1-2H3/t12?,14?,16-/m0/s1
InChIKeyVLYNFNCSSGLAKU-PXCJXSSVSA-N
XLogP4.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine
CID 64737465
(1S)-1-[5-(4-methylcyclohexyl)oxy-2-pyridinyl]propan-1-amine
CID 113355176
1-ethyl-4-(4-methylcyclohexyl)oxybenzene
CID 21137256
1-(4-cyclopropyloxyphenyl)propan-1-ol
CID 114518583
1-(4-cyclopropyloxyphenyl)-4-methoxybutan-1-amine
CID 114519451
2-cyclohexyl-1-(4-cyclopropyloxyphenyl)ethanamine
CID 105051379
1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-amine
CID 105051483
1-(4-cyclopropyloxyphenyl)-2-methylpropan-1-amine
CID 114519212
(4-cyclopropyloxyphenyl)-(4-propylcyclohexyl)methanamine
CID 114519515
1-(4-cyclopropyloxyphenyl)-2-ethoxyethanol
CID 114519068
1-(4-cyclopropyloxyphenyl)-2-propoxyethanol
CID 114519020
1-(4-cyclopropyloxyphenyl)-2-phenylsulfanylethanamine
CID 114519481

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(4-methylcyclohexyl)oxyphenyl]propan-1-amine?
The IUPAC name of (1S)-1-[4-(4-methylcyclohexyl)oxyphenyl]propan-1-amine (CID 78999289) is (1S)-1-[4-(4-methylcyclohexyl)oxyphenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[4-(4-methylcyclohexyl)oxyphenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[4-(4-methylcyclohexyl)oxyphenyl]propan-1-amine is CC[C@H](N)c1ccc(OC2CCC(C)CC2)cc1.
What is the InChIKey of (1S)-1-[4-(4-methylcyclohexyl)oxyphenyl]propan-1-amine?
The InChIKey is VLYNFNCSSGLAKU-PXCJXSSVSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-16(17)13-6-10-15(11-7-13)18-14-8-4-12(2)5-9-14/h6-7,10-12,14,16H,3-5,8-9,17H2,1-2H3/t12?,14?,16-/m0/s1.
What are the key properties of (1S)-1-[4-(4-methylcyclohexyl)oxyphenyl]propan-1-amine?
(1S)-1-[4-(4-methylcyclohexyl)oxyphenyl]propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(4-methylcyclohexyl)oxyphenyl]propan-1-amine is sourced from PubChem (CID 78999289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).