N-[(2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine

C15H22ClNO2 — CID 43182486

IUPACN-[(2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
SMILESClc1ccccc1CNCCCOCC1CCCO1
InChIInChI=1S/C15H22ClNO2/c16-15-7-2-1-5-13(15)11-17-8-4-9-18-12-14-6-3-10-19-14/h1-2,5,7,14,17H,3-4,6,8-12H2
InChIKeyQTLIEAWXGCIDDC-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.02
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine

N-[(2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine (PubChem CID 43182486) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
PubChem CID43182486
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
SMILESClc1ccccc1CNCCCOCC1CCCO1
InChIInChI=1S/C15H22ClNO2/c16-15-7-2-1-5-13(15)11-17-8-4-9-18-12-14-6-3-10-19-14/h1-2,5,7,14,17H,3-4,6,8-12H2
InChIKeyQTLIEAWXGCIDDC-UHFFFAOYSA-N
XLogP3.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43081326
N-[(2-cyclopropylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 79883823
N-[(4-bromo-2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 115651725
N-[(4-bromo-3-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 103581519
2,6-dichloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzenesulfonamide
CID 24511243
3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propan-1-amine
CID 43182521
N-[3-(oxolan-2-ylmethoxy)propyl]-3-phenylpropan-1-amine
CID 43182561
3-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]-1H-quinolin-2-one
CID 119136098
N-[(2-bromo-4-methylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 115556603
N-[(5-chloroquinolin-8-yl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanamine
CID 97079648
3-(oxolan-2-ylmethoxy)-N-[(3-phenoxyphenyl)methyl]propan-1-amine
CID 75858662
2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
CID 94421971

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine (CID 43182486) is N-[(2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine is Clc1ccccc1CNCCCOCC1CCCO1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine?
The InChIKey is QTLIEAWXGCIDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c16-15-7-2-1-5-13(15)11-17-8-4-9-18-12-14-6-3-10-19-14/h1-2,5,7,14,17H,3-4,6,8-12H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine?
N-[(2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine has a molecular weight of 283.80 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine is sourced from PubChem (CID 43182486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).