N-[(4-chlorophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine

C14H22ClNO — CID 103271048

IUPACN-[(4-chlorophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
SMILESCCOCC(NCc1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C14H22ClNO/c1-4-17-10-14(11(2)3)16-9-12-5-7-13(15)8-6-12/h5-8,11,14,16H,4,9-10H2,1-3H3
InChIKeyJGAORIHKURSWOG-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.49
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine

N-[(4-chlorophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine (PubChem CID 103271048) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
PubChem CID103271048
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC NameN-[(4-chlorophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
SMILESCCOCC(NCc1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C14H22ClNO/c1-4-17-10-14(11(2)3)16-9-12-5-7-13(15)8-6-12/h5-8,11,14,16H,4,9-10H2,1-3H3
InChIKeyJGAORIHKURSWOG-UHFFFAOYSA-N
XLogP3.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-N,N-dimethylaniline
CID 103271170
N-[(3,4-dibromophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 114114869
4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-fluorophenol
CID 114114858
1-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 103271063
5-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-methoxyphenol
CID 103271015
2-chloro-6-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]phenol
CID 103275864
N-[(5-bromo-2-fluorophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271161
1-ethoxy-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 103271036
1-ethoxy-N-(furan-2-ylmethyl)-3-methylbutan-2-amine
CID 103271155
N-[(3-chlorophenyl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65050293
7-[(4-chlorophenyl)methylamino]-8-methylnonanoic acid
CID 70602086
N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
CID 43282998

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine (CID 103271048) is N-[(4-chlorophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine is CCOCC(NCc1ccc(Cl)cc1)C(C)C.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine?
The InChIKey is JGAORIHKURSWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-4-17-10-14(11(2)3)16-9-12-5-7-13(15)8-6-12/h5-8,11,14,16H,4,9-10H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine?
N-[(4-chlorophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine is sourced from PubChem (CID 103271048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).