4-[2-[(4-ethylcyclohexyl)-methylamino]propyl]phenol

C18H29NO — CID 82986499

IUPAC4-[2-[(4-ethylcyclohexyl)-methylamino]propyl]phenol
SMILESCCC1CCC(N(C)C(C)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C18H29NO/c1-4-15-5-9-17(10-6-15)19(3)14(2)13-16-7-11-18(20)12-8-16/h7-8,11-12,14-15,17,20H,4-6,9-10,13H2,1-3H3
InChIKeyYIPIBPIYGZPINK-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.22
Rot. Bonds5

About 4-[2-[(4-ethylcyclohexyl)-methylamino]propyl]phenol

4-[2-[(4-ethylcyclohexyl)-methylamino]propyl]phenol (PubChem CID 82986499) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-[2-[(4-ethylcyclohexyl)-methylamino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[(4-ethylcyclohexyl)-methylamino]propyl]phenol
PubChem CID82986499
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name4-[2-[(4-ethylcyclohexyl)-methylamino]propyl]phenol
SMILESCCC1CCC(N(C)C(C)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C18H29NO/c1-4-15-5-9-17(10-6-15)19(3)14(2)13-16-7-11-18(20)12-8-16/h7-8,11-12,14-15,17,20H,4-6,9-10,13H2,1-3H3
InChIKeyYIPIBPIYGZPINK-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[azetidin-3-yl(methyl)amino]propyl]phenol
CID 115496116
4-[2-[methyl-(2-methylcyclohexyl)amino]propyl]phenol
CID 82985701
4-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]propyl]phenol
CID 115496134
methyl 5-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]furan-2-carboxylate
CID 79084990
3-[(4-ethylcyclohexyl)-methylamino]butanoic acid
CID 61449261
2-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]-4-fluorophenol
CID 82986196
1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]propan-1-one
CID 63566108
4-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]aniline
CID 61450845
4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylaniline
CID 55222350
2-[cyclohexyl(methyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 174492426
(2S)-2-amino-N-cyclopropyl-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 61155702
4-[2-[bis(2-methylpropyl)amino]propyl]phenol
CID 82981802

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-ethylcyclohexyl)-methylamino]propyl]phenol?
The IUPAC name of 4-[2-[(4-ethylcyclohexyl)-methylamino]propyl]phenol (CID 82986499) is 4-[2-[(4-ethylcyclohexyl)-methylamino]propyl]phenol.
What is the SMILES notation for 4-[2-[(4-ethylcyclohexyl)-methylamino]propyl]phenol?
The canonical SMILES for 4-[2-[(4-ethylcyclohexyl)-methylamino]propyl]phenol is CCC1CCC(N(C)C(C)Cc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[2-[(4-ethylcyclohexyl)-methylamino]propyl]phenol?
The InChIKey is YIPIBPIYGZPINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-15-5-9-17(10-6-15)19(3)14(2)13-16-7-11-18(20)12-8-16/h7-8,11-12,14-15,17,20H,4-6,9-10,13H2,1-3H3.
What are the key properties of 4-[2-[(4-ethylcyclohexyl)-methylamino]propyl]phenol?
4-[2-[(4-ethylcyclohexyl)-methylamino]propyl]phenol has a molecular weight of 275.44 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-ethylcyclohexyl)-methylamino]propyl]phenol is sourced from PubChem (CID 82986499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).