3-[1-[(4-cyclopropylphenyl)methylamino]ethyl]phenol

C18H21NO — CID 79978926

IUPAC3-[1-[(4-cyclopropylphenyl)methylamino]ethyl]phenol
SMILESCC(NCc1ccc(C2CC2)cc1)c1cccc(O)c1
InChIInChI=1S/C18H21NO/c1-13(17-3-2-4-18(20)11-17)19-12-14-5-7-15(8-6-14)16-9-10-16/h2-8,11,13,16,19-20H,9-10,12H2,1H3
InChIKeyHNMDSAYNROREQT-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.12
Rot. Bonds5

About 3-[1-[(4-cyclopropylphenyl)methylamino]ethyl]phenol

3-[1-[(4-cyclopropylphenyl)methylamino]ethyl]phenol (PubChem CID 79978926) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[1-[(4-cyclopropylphenyl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[(4-cyclopropylphenyl)methylamino]ethyl]phenol
PubChem CID79978926
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-[1-[(4-cyclopropylphenyl)methylamino]ethyl]phenol
SMILESCC(NCc1ccc(C2CC2)cc1)c1cccc(O)c1
InChIInChI=1S/C18H21NO/c1-13(17-3-2-4-18(20)11-17)19-12-14-5-7-15(8-6-14)16-9-10-16/h2-8,11,13,16,19-20H,9-10,12H2,1H3
InChIKeyHNMDSAYNROREQT-UHFFFAOYSA-N
XLogP4.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79978825
(1S)-N-[(4-cyclopropylphenyl)methyl]-1-phenylethanamine
CID 81351295
3-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]phenol
CID 43205609
4-[[1-(3-hydroxyphenyl)ethylamino]methyl]benzamide
CID 43791628
3-[1-[(3,5-dichlorophenyl)methylamino]ethyl]phenol
CID 60790186
3-[1-(cyclobutylmethylamino)ethyl]phenol
CID 43298395
N-[(4-cyclopropylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 79979049
4-[[[(1R)-1-(3-bromophenyl)ethyl]amino]methyl]phenol
CID 81381238
2-ethoxy-4-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenol
CID 43748484
N-[(4-cyclopropylphenyl)methyl]-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine
CID 126827114
3-[1-(isoquinolin-6-ylmethylamino)ethyl]phenol
CID 107037984
N-[(4-cyclopropylphenyl)methyl]propan-2-amine
CID 62491335

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-cyclopropylphenyl)methylamino]ethyl]phenol?
The IUPAC name of 3-[1-[(4-cyclopropylphenyl)methylamino]ethyl]phenol (CID 79978926) is 3-[1-[(4-cyclopropylphenyl)methylamino]ethyl]phenol.
What is the SMILES notation for 3-[1-[(4-cyclopropylphenyl)methylamino]ethyl]phenol?
The canonical SMILES for 3-[1-[(4-cyclopropylphenyl)methylamino]ethyl]phenol is CC(NCc1ccc(C2CC2)cc1)c1cccc(O)c1.
What is the InChIKey of 3-[1-[(4-cyclopropylphenyl)methylamino]ethyl]phenol?
The InChIKey is HNMDSAYNROREQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13(17-3-2-4-18(20)11-17)19-12-14-5-7-15(8-6-14)16-9-10-16/h2-8,11,13,16,19-20H,9-10,12H2,1H3.
What are the key properties of 3-[1-[(4-cyclopropylphenyl)methylamino]ethyl]phenol?
3-[1-[(4-cyclopropylphenyl)methylamino]ethyl]phenol has a molecular weight of 267.37 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-cyclopropylphenyl)methylamino]ethyl]phenol is sourced from PubChem (CID 79978926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).