N-[(3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine

C13H20ClNO — CID 114941490

IUPACN-[(3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNCc1cccc(Cl)c1
InChIInChI=1S/C13H20ClNO/c1-4-16-13(2,3)10-15-9-11-6-5-7-12(14)8-11/h5-8,15H,4,9-10H2,1-3H3
InChIKeyPXDJFERUDUBOBI-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.24
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine

N-[(3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine (PubChem CID 114941490) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
PubChem CID114941490
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC NameN-[(3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNCc1cccc(Cl)c1
InChIInChI=1S/C13H20ClNO/c1-4-16-13(2,3)10-15-9-11-6-5-7-12(14)8-11/h5-8,15H,4,9-10H2,1-3H3
InChIKeyPXDJFERUDUBOBI-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656052
N-[(3-bromophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114940760
2-ethoxy-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 114940815
3-[[(2-ethoxy-2-methylpropyl)amino]methyl]benzonitrile
CID 114941202
3-[[(3-chlorophenyl)methylamino]methyl]pentan-3-ol
CID 62059723
1-[(3-chlorophenyl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 111437026
N-[(4-bromo-3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 103581873
N-[(3-chlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 63452100
N-[(3-chloro-4-methoxyphenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114941226
methyl 3-[(3-chlorophenyl)methylamino]-2,2-dimethylpropanoate
CID 79623867
2-ethoxy-2-methyl-N-[(4-phenylphenyl)methyl]propan-1-amine
CID 114941062
N-[(3-chlorophenyl)methyl]-4-ethoxybutan-1-amine
CID 115584497

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine (CID 114941490) is N-[(3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine is CCOC(C)(C)CNCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine?
The InChIKey is PXDJFERUDUBOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-4-16-13(2,3)10-15-9-11-6-5-7-12(14)8-11/h5-8,15H,4,9-10H2,1-3H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine?
N-[(3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine has a molecular weight of 241.76 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine is sourced from PubChem (CID 114941490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).