N-[3-(chloromethyl)phenyl]oxolan-3-amine

C11H14ClNO — CID 65023855

IUPACN-[3-(chloromethyl)phenyl]oxolan-3-amine
SMILESClCc1cccc(NC2CCOC2)c1
InChIInChI=1S/C11H14ClNO/c12-7-9-2-1-3-10(6-9)13-11-4-5-14-8-11/h1-3,6,11,13H,4-5,7-8H2
InChIKeyLHFTVFXUWDAWQT-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.63
Rot. Bonds3

About N-[3-(chloromethyl)phenyl]oxolan-3-amine

N-[3-(chloromethyl)phenyl]oxolan-3-amine (PubChem CID 65023855) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is N-[3-(chloromethyl)phenyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[3-(chloromethyl)phenyl]oxolan-3-amine
PubChem CID65023855
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC NameN-[3-(chloromethyl)phenyl]oxolan-3-amine
SMILESClCc1cccc(NC2CCOC2)c1
InChIInChI=1S/C11H14ClNO/c12-7-9-2-1-3-10(6-9)13-11-4-5-14-8-11/h1-3,6,11,13H,4-5,7-8H2
InChIKeyLHFTVFXUWDAWQT-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[3-(chloromethyl)phenyl]oxolan-3-amine 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

N-[3-(methylsulfinylmethyl)phenyl]oxolan-3-amine
CID 115744260
N-[3-(chloromethyl)phenyl]oxolane-3-carboxamide
CID 114293301
N-(3-phenoxyphenyl)oxolan-3-amine
CID 63335044
N-(3-prop-2-enoxyphenyl)oxolan-3-amine
CID 115688918
3-(oxolan-3-ylamino)benzenesulfonamide
CID 63331778
(3S)-N-[3-[(2S)-butan-2-yl]oxyphenyl]oxolan-3-amine
CID 98509677
2-chloro-N-(oxolan-3-yl)pyridin-4-amine
CID 115486637
N-(3,4,5-trifluorophenyl)oxolan-3-amine
CID 63335709
N-[3-(2-methoxyethoxymethyl)phenyl]oxan-4-amine
CID 54863387
N-(oxolan-3-yl)pyridin-3-amine
CID 63331715
3-(chloromethyl)-N-(oxan-4-yl)benzamide
CID 43610029
N-(3,5-difluorophenyl)oxolan-3-amine
CID 63331468

Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)phenyl]oxolan-3-amine?
The IUPAC name of N-[3-(chloromethyl)phenyl]oxolan-3-amine (CID 65023855) is N-[3-(chloromethyl)phenyl]oxolan-3-amine.
What is the SMILES notation for N-[3-(chloromethyl)phenyl]oxolan-3-amine?
The canonical SMILES for N-[3-(chloromethyl)phenyl]oxolan-3-amine is ClCc1cccc(NC2CCOC2)c1.
What is the InChIKey of N-[3-(chloromethyl)phenyl]oxolan-3-amine?
The InChIKey is LHFTVFXUWDAWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-7-9-2-1-3-10(6-9)13-11-4-5-14-8-11/h1-3,6,11,13H,4-5,7-8H2.
What are the key properties of N-[3-(chloromethyl)phenyl]oxolan-3-amine?
N-[3-(chloromethyl)phenyl]oxolan-3-amine has a molecular weight of 211.69 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)phenyl]oxolan-3-amine is sourced from PubChem (CID 65023855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).