(1R)-1-[2-[(4-ethylcyclohexyl)-methylamino]phenyl]propan-1-ol

C18H29NO — CID 103959896

IUPAC(1R)-1-[2-[(4-ethylcyclohexyl)-methylamino]phenyl]propan-1-ol
SMILESCCC1CCC(N(C)c2ccccc2[C@H](O)CC)CC1
InChIInChI=1S/C18H29NO/c1-4-14-10-12-15(13-11-14)19(3)17-9-7-6-8-16(17)18(20)5-2/h6-9,14-15,18,20H,4-5,10-13H2,1-3H3/t14?,15?,18-/m1/s1
InChIKeyYJHJCRQWJWUBBX-JTTJXQCZSA-N
MW275.44 g/mol
LogP4.53
Rot. Bonds5

About (1R)-1-[2-[(4-ethylcyclohexyl)-methylamino]phenyl]propan-1-ol

(1R)-1-[2-[(4-ethylcyclohexyl)-methylamino]phenyl]propan-1-ol (PubChem CID 103959896) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (1R)-1-[2-[(4-ethylcyclohexyl)-methylamino]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-[(4-ethylcyclohexyl)-methylamino]phenyl]propan-1-ol
PubChem CID103959896
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(1R)-1-[2-[(4-ethylcyclohexyl)-methylamino]phenyl]propan-1-ol
SMILESCCC1CCC(N(C)c2ccccc2[C@H](O)CC)CC1
InChIInChI=1S/C18H29NO/c1-4-14-10-12-15(13-11-14)19(3)17-9-7-6-8-16(17)18(20)5-2/h6-9,14-15,18,20H,4-5,10-13H2,1-3H3/t14?,15?,18-/m1/s1
InChIKeyYJHJCRQWJWUBBX-JTTJXQCZSA-N
XLogP4.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

(1S)-1-[2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]propan-1-ol
CID 103960276
(1S)-1-[2-[methyl-(3-methylcyclohexyl)amino]phenyl]propan-1-ol
CID 103959887
1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol
CID 112678841
(1S)-1-[2-[cyclopropyl(ethyl)amino]phenyl]propan-1-ol
CID 103959730
1-[2-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol
CID 112678870
(1S)-1-[2-(N-methylanilino)phenyl]propan-1-ol
CID 103959642
(1R)-1-[2-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol
CID 55182840
3-[2-[(4-ethylcyclohexyl)-methylamino]phenyl]prop-2-enoic acid
CID 77000107
2-chloro-6-[(4-ethylcyclohexyl)-methylamino]benzenecarbothioamide
CID 62496502
(1S)-1-[2-[cyclopentyl(methyl)amino]phenyl]ethanol
CID 63370690
3-[N-cyclopropyl-2-[(1R)-1-hydroxypropyl]anilino]propanenitrile
CID 113358991
(1S)-1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]propan-1-ol
CID 103959893

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(4-ethylcyclohexyl)-methylamino]phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[2-[(4-ethylcyclohexyl)-methylamino]phenyl]propan-1-ol (CID 103959896) is (1R)-1-[2-[(4-ethylcyclohexyl)-methylamino]phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-[(4-ethylcyclohexyl)-methylamino]phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-[(4-ethylcyclohexyl)-methylamino]phenyl]propan-1-ol is CCC1CCC(N(C)c2ccccc2[C@H](O)CC)CC1.
What is the InChIKey of (1R)-1-[2-[(4-ethylcyclohexyl)-methylamino]phenyl]propan-1-ol?
The InChIKey is YJHJCRQWJWUBBX-JTTJXQCZSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-14-10-12-15(13-11-14)19(3)17-9-7-6-8-16(17)18(20)5-2/h6-9,14-15,18,20H,4-5,10-13H2,1-3H3/t14?,15?,18-/m1/s1.
What are the key properties of (1R)-1-[2-[(4-ethylcyclohexyl)-methylamino]phenyl]propan-1-ol?
(1R)-1-[2-[(4-ethylcyclohexyl)-methylamino]phenyl]propan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(4-ethylcyclohexyl)-methylamino]phenyl]propan-1-ol is sourced from PubChem (CID 103959896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).