N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine

C14H20ClNO — CID 106816198

IUPACN-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCc1ccc(CNC(C)C2CCCO2)cc1Cl
InChIInChI=1S/C14H20ClNO/c1-10-5-6-12(8-13(10)15)9-16-11(2)14-4-3-7-17-14/h5-6,8,11,14,16H,3-4,7,9H2,1-2H3
InChIKeyWYJDGKNHPIRXIQ-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.31
Rot. Bonds4

About N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine

N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 106816198) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
PubChem CID106816198
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCc1ccc(CNC(C)C2CCCO2)cc1Cl
InChIInChI=1S/C14H20ClNO/c1-10-5-6-12(8-13(10)15)9-16-11(2)14-4-3-7-17-14/h5-6,8,11,14,16H,3-4,7,9H2,1-2H3
InChIKeyWYJDGKNHPIRXIQ-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-dichlorophenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208415
N-[(4-fluoro-3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 55039910
N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylethanamine
CID 106816243
N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208430
N-[(4-tert-butylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43111659
N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208412
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 63195312
N-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208422
N-[(3-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 60873140
5-methyl-4-[[1-(oxolan-2-yl)ethylamino]methyl]furan-2-carboxylic acid
CID 103238599
N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylpropan-2-amine
CID 106816843
N-[(5-bromothiophen-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43432082

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine (CID 106816198) is N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine is Cc1ccc(CNC(C)C2CCCO2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is WYJDGKNHPIRXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10-5-6-12(8-13(10)15)9-16-11(2)14-4-3-7-17-14/h5-6,8,11,14,16H,3-4,7,9H2,1-2H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine?
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 253.77 g/mol, XLogP of 3.31, 4 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]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 106816198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).