N-[(2-chlorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine

C13H16ClNO — CID 62065771

IUPACN-[(2-chlorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine
SMILESClc1ccccc1CNCC1CCC=CO1
InChIInChI=1S/C13H16ClNO/c14-13-7-2-1-5-11(13)9-15-10-12-6-3-4-8-16-12/h1-2,4-5,7-8,12,15H,3,6,9-10H2
InChIKeyLKSWCHLSXDCVPR-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.12
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine

N-[(2-chlorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine (PubChem CID 62065771) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine
PubChem CID62065771
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine
SMILESClc1ccccc1CNCC1CCC=CO1
InChIInChI=1S/C13H16ClNO/c14-13-7-2-1-5-11(13)9-15-10-12-6-3-4-8-16-12/h1-2,4-5,7-8,12,15H,3,6,9-10H2
InChIKeyLKSWCHLSXDCVPR-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine (CID 62065771) is N-[(2-chlorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine is Clc1ccccc1CNCC1CCC=CO1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine?
The InChIKey is LKSWCHLSXDCVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-13-7-2-1-5-11(13)9-15-10-12-6-3-4-8-16-12/h1-2,4-5,7-8,12,15H,3,6,9-10H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine?
N-[(2-chlorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine has a molecular weight of 237.73 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine is sourced from PubChem (CID 62065771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).