[1-[[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol

C17H24ClNO3 — CID 111579334

IUPAC[1-[[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol
SMILESOCC1(CNCc2cc(Cl)ccc2OCC2CCCO2)CC1
InChIInChI=1S/C17H24ClNO3/c18-14-3-4-16(22-10-15-2-1-7-21-15)13(8-14)9-19-11-17(12-20)5-6-17/h3-4,8,15,19-20H,1-2,5-7,9-12H2
InChIKeyXEYSFOBZXFSIIJ-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.76
Rot. Bonds8

About [1-[[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol

[1-[[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol (PubChem CID 111579334) has the molecular formula C17H24ClNO3 and a molecular weight of 325.84 g/mol. Its IUPAC name is [1-[[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol
PubChem CID111579334
Molecular FormulaC17H24ClNO3
Molecular Weight325.84 g/mol
Exact Mass325.14
IUPAC Name[1-[[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol
SMILESOCC1(CNCc2cc(Cl)ccc2OCC2CCCO2)CC1
InChIInChI=1S/C17H24ClNO3/c18-14-3-4-16(22-10-15-2-1-7-21-15)13(8-14)9-19-11-17(12-20)5-6-17/h3-4,8,15,19-20H,1-2,5-7,9-12H2
InChIKeyXEYSFOBZXFSIIJ-UHFFFAOYSA-N
XLogP2.76
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol with MolForge

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Related Compounds

[1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358964
trans-(1R,3R)-3-[[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methylamino]cyclohexane-1-carboxamide
CID 124699506
1-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60907979
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 834252
2-[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976807
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 29187254
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94029080
1-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-hydroxyethyl)urea
CID 95265922
2-[5-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65164179
4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119300240
[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanol
CID 28562688
N-[(2,4-dichlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43081326

Frequently Asked Questions

What is the IUPAC name of [1-[[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol (CID 111579334) is [1-[[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol is OCC1(CNCc2cc(Cl)ccc2OCC2CCCO2)CC1.
What is the InChIKey of [1-[[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol?
The InChIKey is XEYSFOBZXFSIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO3/c18-14-3-4-16(22-10-15-2-1-7-21-15)13(8-14)9-19-11-17(12-20)5-6-17/h3-4,8,15,19-20H,1-2,5-7,9-12H2.
What are the key properties of [1-[[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol?
[1-[[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol has a molecular weight of 325.84 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 111579334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).