N-[(3-chloro-4-methylphenyl)methyl]-3-methyloxan-3-amine

C14H20ClNO — CID 106833865

IUPACN-[(3-chloro-4-methylphenyl)methyl]-3-methyloxan-3-amine
SMILESCc1ccc(CNC2(C)CCCOC2)cc1Cl
InChIInChI=1S/C14H20ClNO/c1-11-4-5-12(8-13(11)15)9-16-14(2)6-3-7-17-10-14/h4-5,8,16H,3,6-7,9-10H2,1-2H3
InChIKeyJBGKTIDHQZARFK-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.31
Rot. Bonds3

About N-[(3-chloro-4-methylphenyl)methyl]-3-methyloxan-3-amine

N-[(3-chloro-4-methylphenyl)methyl]-3-methyloxan-3-amine (PubChem CID 106833865) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]-3-methyloxan-3-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]-3-methyloxan-3-amine
PubChem CID106833865
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]-3-methyloxan-3-amine
SMILESCc1ccc(CNC2(C)CCCOC2)cc1Cl
InChIInChI=1S/C14H20ClNO/c1-11-4-5-12(8-13(11)15)9-16-14(2)6-3-7-17-10-14/h4-5,8,16H,3,6-7,9-10H2,1-2H3
InChIKeyJBGKTIDHQZARFK-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-3-methyloxan-3-amine
CID 113348018
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-methyloxan-3-amine
CID 114113993
N-[(4-ethoxyphenyl)methyl]-3-methyloxan-3-amine
CID 103897453
N-[(2,3-dichlorophenyl)methyl]-3-methyloxan-3-amine
CID 103897522
4-[[(3-methyloxan-3-yl)amino]methyl]benzamide
CID 103897385
N-[(5-bromo-3-pyridinyl)methyl]-3-methyloxan-3-amine
CID 104857038
N-[(2,5-dimethylphenyl)methyl]-3-methyloxolan-3-amine
CID 115768702
N-[(2,4-difluorophenyl)methyl]-3-methyloxan-3-amine
CID 113347998
3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]oxan-3-amine
CID 113347999
N-[[4-(methoxymethyl)phenyl]methyl]-3-methyloxolan-3-amine
CID 113338521
N-[[4-(dimethylamino)phenyl]methyl]-3-methyloxolan-3-amine
CID 115768832
3-methyl-N-[(4-phenylphenyl)methyl]oxolan-3-amine
CID 115768836

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-3-methyloxan-3-amine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-3-methyloxan-3-amine (CID 106833865) is N-[(3-chloro-4-methylphenyl)methyl]-3-methyloxan-3-amine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]-3-methyloxan-3-amine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]-3-methyloxan-3-amine is Cc1ccc(CNC2(C)CCCOC2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]-3-methyloxan-3-amine?
The InChIKey is JBGKTIDHQZARFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-11-4-5-12(8-13(11)15)9-16-14(2)6-3-7-17-10-14/h4-5,8,16H,3,6-7,9-10H2,1-2H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]-3-methyloxan-3-amine?
N-[(3-chloro-4-methylphenyl)methyl]-3-methyloxan-3-amine has a molecular weight of 253.77 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methyl]-3-methyloxan-3-amine is sourced from PubChem (CID 106833865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).