[5-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]phenyl]methanol

C15H22ClNO2 — CID 114845469

IUPAC[5-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]phenyl]methanol
SMILESCOCCN(c1ccc(Cl)cc1CO)C(C)C1CC1
InChIInChI=1S/C15H22ClNO2/c1-11(12-3-4-12)17(7-8-19-2)15-6-5-14(16)9-13(15)10-18/h5-6,9,11-12,18H,3-4,7-8,10H2,1-2H3
InChIKeyVKEKASMBVJBFSJ-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.08
Rot. Bonds7

About [5-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]phenyl]methanol

[5-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]phenyl]methanol (PubChem CID 114845469) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is [5-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]phenyl]methanol
PubChem CID114845469
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name[5-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]phenyl]methanol
SMILESCOCCN(c1ccc(Cl)cc1CO)C(C)C1CC1
InChIInChI=1S/C15H22ClNO2/c1-11(12-3-4-12)17(7-8-19-2)15-6-5-14(16)9-13(15)10-18/h5-6,9,11-12,18H,3-4,7-8,10H2,1-2H3
InChIKeyVKEKASMBVJBFSJ-UHFFFAOYSA-N
XLogP3.08
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63086671
2-(aminomethyl)-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline
CID 55002820
2-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63815654
1-N-(1-cyclopropylethyl)-1-N-(2-methoxyethyl)-4-methylbenzene-1,2-diamine
CID 55004687
4-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile
CID 55002927
4-(aminomethyl)-3-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 62944699
[5-chloro-2-[cyclopropyl(methyl)amino]phenyl]methanol
CID 114845206
2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline
CID 78935385
[5-chloro-2-[methyl(propan-2-yl)amino]phenyl]methanol
CID 114845155
4-chloro-N-(2-methoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline
CID 114853037
[5-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol
CID 55005532
2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63368929

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]phenyl]methanol?
The IUPAC name of [5-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]phenyl]methanol (CID 114845469) is [5-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]phenyl]methanol.
What is the SMILES notation for [5-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]phenyl]methanol?
The canonical SMILES for [5-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]phenyl]methanol is COCCN(c1ccc(Cl)cc1CO)C(C)C1CC1.
What is the InChIKey of [5-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]phenyl]methanol?
The InChIKey is VKEKASMBVJBFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-11(12-3-4-12)17(7-8-19-2)15-6-5-14(16)9-13(15)10-18/h5-6,9,11-12,18H,3-4,7-8,10H2,1-2H3.
What are the key properties of [5-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]phenyl]methanol?
[5-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]phenyl]methanol has a molecular weight of 283.80 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]phenyl]methanol is sourced from PubChem (CID 114845469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).