N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(oxolan-3-yl)ethanamine

C16H22ClNO — CID 115707063

IUPACN-[(4-chlorophenyl)-cyclopropylmethyl]-1-(oxolan-3-yl)ethanamine
SMILESCC(NC(c1ccc(Cl)cc1)C1CC1)C1CCOC1
InChIInChI=1S/C16H22ClNO/c1-11(14-8-9-19-10-14)18-16(12-2-3-12)13-4-6-15(17)7-5-13/h4-7,11-12,14,16,18H,2-3,8-10H2,1H3
InChIKeyROCHAGKRBCWULO-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.81
Rot. Bonds5

About N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(oxolan-3-yl)ethanamine

N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(oxolan-3-yl)ethanamine (PubChem CID 115707063) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopropylmethyl]-1-(oxolan-3-yl)ethanamine
PubChem CID115707063
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC NameN-[(4-chlorophenyl)-cyclopropylmethyl]-1-(oxolan-3-yl)ethanamine
SMILESCC(NC(c1ccc(Cl)cc1)C1CC1)C1CCOC1
InChIInChI=1S/C16H22ClNO/c1-11(14-8-9-19-10-14)18-16(12-2-3-12)13-4-6-15(17)7-5-13/h4-7,11-12,14,16,18H,2-3,8-10H2,1H3
InChIKeyROCHAGKRBCWULO-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclohexylethanamine
CID 63477306
ethyl (2R)-2-(4-chlorophenyl)-2-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]acetate
CID 129402434
N-[(4-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655135
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 113483469
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115677339
N-[(4-chlorophenyl)-cyclopropylmethyl]-3,3-dimethylbutan-2-amine
CID 104827637
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-cyclopropylethanamine
CID 81352705
1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 43776551
N-[1-(3,5-dimethylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115718211
(1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine
CID 81351699
(1R)-1-(4-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81357139
1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115724018

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(oxolan-3-yl)ethanamine (CID 115707063) is N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(oxolan-3-yl)ethanamine is CC(NC(c1ccc(Cl)cc1)C1CC1)C1CCOC1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(oxolan-3-yl)ethanamine?
The InChIKey is ROCHAGKRBCWULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-11(14-8-9-19-10-14)18-16(12-2-3-12)13-4-6-15(17)7-5-13/h4-7,11-12,14,16,18H,2-3,8-10H2,1H3.
What are the key properties of N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(oxolan-3-yl)ethanamine?
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(oxolan-3-yl)ethanamine has a molecular weight of 279.81 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 115707063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).