[3-[(4-chloro-3-methyl-N-propan-2-ylanilino)methyl]phenyl]methanol

C18H22ClNO — CID 118349192

IUPAC[3-[(4-chloro-3-methyl-N-propan-2-ylanilino)methyl]phenyl]methanol
SMILESCc1cc(N(Cc2cccc(CO)c2)C(C)C)ccc1Cl
InChIInChI=1S/C18H22ClNO/c1-13(2)20(17-7-8-18(19)14(3)9-17)11-15-5-4-6-16(10-15)12-21/h4-10,13,21H,11-12H2,1-3H3
InChIKeyUANYFPURLIPQNS-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.56
Rot. Bonds5

About [3-[(4-chloro-3-methyl-N-propan-2-ylanilino)methyl]phenyl]methanol

[3-[(4-chloro-3-methyl-N-propan-2-ylanilino)methyl]phenyl]methanol (PubChem CID 118349192) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is [3-[(4-chloro-3-methyl-N-propan-2-ylanilino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(4-chloro-3-methyl-N-propan-2-ylanilino)methyl]phenyl]methanol
PubChem CID118349192
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name[3-[(4-chloro-3-methyl-N-propan-2-ylanilino)methyl]phenyl]methanol
SMILESCc1cc(N(Cc2cccc(CO)c2)C(C)C)ccc1Cl
InChIInChI=1S/C18H22ClNO/c1-13(2)20(17-7-8-18(19)14(3)9-17)11-15-5-4-6-16(10-15)12-21/h4-10,13,21H,11-12H2,1-3H3
InChIKeyUANYFPURLIPQNS-UHFFFAOYSA-N
XLogP4.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[1-(2,3-dimethylphenyl)ethyl]-N-ethyl-3-methylaniline
CID 130280203
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CID 62947608
[4-[benzyl(propan-2-yl)amino]-2-pyridinyl]methanol
CID 61254549
4-chloro-N-[(3,4-dimethylphenyl)methyl]-N,3-dimethylaniline
CID 130280181
N-(4-chloro-3-methylphenyl)-N-oxidohydroxylamine
CID 163146567
4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-propan-2-ylaniline
CID 43276120
[4-[(3-chlorophenyl)methyl-methylamino]-3-methylphenyl]methanol
CID 62121892
3-[4-(hydroxymethyl)-3-methyl-N-propan-2-ylanilino]propan-1-ol
CID 62135214
N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridin-4-amine
CID 60876264
2-bromo-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide
CID 107904496
(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 115838225
3-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 102813686

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chloro-3-methyl-N-propan-2-ylanilino)methyl]phenyl]methanol?
The IUPAC name of [3-[(4-chloro-3-methyl-N-propan-2-ylanilino)methyl]phenyl]methanol (CID 118349192) is [3-[(4-chloro-3-methyl-N-propan-2-ylanilino)methyl]phenyl]methanol.
What is the SMILES notation for [3-[(4-chloro-3-methyl-N-propan-2-ylanilino)methyl]phenyl]methanol?
The canonical SMILES for [3-[(4-chloro-3-methyl-N-propan-2-ylanilino)methyl]phenyl]methanol is Cc1cc(N(Cc2cccc(CO)c2)C(C)C)ccc1Cl.
What is the InChIKey of [3-[(4-chloro-3-methyl-N-propan-2-ylanilino)methyl]phenyl]methanol?
The InChIKey is UANYFPURLIPQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-13(2)20(17-7-8-18(19)14(3)9-17)11-15-5-4-6-16(10-15)12-21/h4-10,13,21H,11-12H2,1-3H3.
What are the key properties of [3-[(4-chloro-3-methyl-N-propan-2-ylanilino)methyl]phenyl]methanol?
[3-[(4-chloro-3-methyl-N-propan-2-ylanilino)methyl]phenyl]methanol has a molecular weight of 303.83 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chloro-3-methyl-N-propan-2-ylanilino)methyl]phenyl]methanol is sourced from PubChem (CID 118349192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).