N-[2-(4-chlorophenyl)-3-ethoxypropyl]-2-methylpropan-1-amine

C15H24ClNO — CID 103984798

IUPACN-[2-(4-chlorophenyl)-3-ethoxypropyl]-2-methylpropan-1-amine
SMILESCCOCC(CNCC(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNO/c1-4-18-11-14(10-17-9-12(2)3)13-5-7-15(16)8-6-13/h5-8,12,14,17H,4,9-11H2,1-3H3
InChIKeyJEWWNNAWOXCGQR-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.71
Rot. Bonds8

About N-[2-(4-chlorophenyl)-3-ethoxypropyl]-2-methylpropan-1-amine

N-[2-(4-chlorophenyl)-3-ethoxypropyl]-2-methylpropan-1-amine (PubChem CID 103984798) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-3-ethoxypropyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-3-ethoxypropyl]-2-methylpropan-1-amine
PubChem CID103984798
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC NameN-[2-(4-chlorophenyl)-3-ethoxypropyl]-2-methylpropan-1-amine
SMILESCCOCC(CNCC(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNO/c1-4-18-11-14(10-17-9-12(2)3)13-5-7-15(16)8-6-13/h5-8,12,14,17H,4,9-11H2,1-3H3
InChIKeyJEWWNNAWOXCGQR-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-3-ethoxy-N-propan-2-ylpropan-1-amine
CID 113361887
2-(4-chlorophenyl)-N-(2-methylpropyl)butan-1-amine
CID 66436507
2-(4-chlorophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 103036902
2-(4-bromophenyl)-3-ethoxy-N-propylpropan-1-amine
CID 103984791
N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-1-amine
CID 79438464
2-(4-bromophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine
CID 79437803
2-(3-chlorophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine
CID 79443619
[1-(4-chlorophenyl)-2-ethoxyethyl]hydrazine
CID 105193288
N-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine
CID 103984701
N-[3-(cyclopropylmethoxy)-2-(4-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 106930893
N-[3-(3-bromothiophen-2-yl)-2-(4-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 79432398
2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 63492609

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-3-ethoxypropyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(4-chlorophenyl)-3-ethoxypropyl]-2-methylpropan-1-amine (CID 103984798) is N-[2-(4-chlorophenyl)-3-ethoxypropyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-3-ethoxypropyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)-3-ethoxypropyl]-2-methylpropan-1-amine is CCOCC(CNCC(C)C)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-3-ethoxypropyl]-2-methylpropan-1-amine?
The InChIKey is JEWWNNAWOXCGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-4-18-11-14(10-17-9-12(2)3)13-5-7-15(16)8-6-13/h5-8,12,14,17H,4,9-11H2,1-3H3.
What are the key properties of N-[2-(4-chlorophenyl)-3-ethoxypropyl]-2-methylpropan-1-amine?
N-[2-(4-chlorophenyl)-3-ethoxypropyl]-2-methylpropan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-3-ethoxypropyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103984798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).