(1S)-1-[2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]propan-1-ol

C18H29NO — CID 103960276

IUPAC(1S)-1-[2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N(C)C1CCC(C)(C)CC1
InChIInChI=1S/C18H29NO/c1-5-17(20)15-8-6-7-9-16(15)19(4)14-10-12-18(2,3)13-11-14/h6-9,14,17,20H,5,10-13H2,1-4H3/t17-/m0/s1
InChIKeyHEJOJUCBSBQPQQ-KRWDZBQOSA-N
MW275.44 g/mol
LogP4.53
Rot. Bonds4

About (1S)-1-[2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]propan-1-ol

(1S)-1-[2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]propan-1-ol (PubChem CID 103960276) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (1S)-1-[2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]propan-1-ol
PubChem CID103960276
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(1S)-1-[2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N(C)C1CCC(C)(C)CC1
InChIInChI=1S/C18H29NO/c1-5-17(20)15-8-6-7-9-16(15)19(4)14-10-12-18(2,3)13-11-14/h6-9,14,17,20H,5,10-13H2,1-4H3/t17-/m0/s1
InChIKeyHEJOJUCBSBQPQQ-KRWDZBQOSA-N
XLogP4.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-[(4-ethylcyclohexyl)-methylamino]phenyl]propan-1-ol
CID 103959896
(1S)-1-[2-[methyl-(3-methylcyclohexyl)amino]phenyl]propan-1-ol
CID 103959887
(1S)-1-[2-[cyclopropyl(ethyl)amino]phenyl]propan-1-ol
CID 103959730
1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol
CID 112678841
2-[1-[(4,4-dimethylcyclohexyl)-methylamino]propyl]phenol
CID 82983229
(1S)-1-[5-[(4,4-dimethylcyclohexyl)-methylamino]-2-pyridinyl]propan-1-ol
CID 103938894
(1S)-1-[2-(N-methylanilino)phenyl]propan-1-ol
CID 103959642
(1S)-1-[2-[cyclopentyl(methyl)amino]phenyl]ethanol
CID 63370690
1-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]cyclopentan-1-ol
CID 114950295
1-[2-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol
CID 112678870
(1R)-1-[2-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol
CID 55182840
1-[2-[cyclobutyl(3-hydroxypropyl)amino]phenyl]propan-1-ol
CID 102864135

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]propan-1-ol (CID 103960276) is (1S)-1-[2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]propan-1-ol is CC[C@H](O)c1ccccc1N(C)C1CCC(C)(C)CC1.
What is the InChIKey of (1S)-1-[2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]propan-1-ol?
The InChIKey is HEJOJUCBSBQPQQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-17(20)15-8-6-7-9-16(15)19(4)14-10-12-18(2,3)13-11-14/h6-9,14,17,20H,5,10-13H2,1-4H3/t17-/m0/s1.
What are the key properties of (1S)-1-[2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]propan-1-ol?
(1S)-1-[2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]propan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]propan-1-ol is sourced from PubChem (CID 103960276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).