2-(2-aminopropyl)-3-chloro-N-(3-methoxyphenyl)-N-methylaniline

C17H21ClN2O — CID 63817196

IUPAC2-(2-aminopropyl)-3-chloro-N-(3-methoxyphenyl)-N-methylaniline
SMILESCOc1cccc(N(C)c2cccc(Cl)c2CC(C)N)c1
InChIInChI=1S/C17H21ClN2O/c1-12(19)10-15-16(18)8-5-9-17(15)20(2)13-6-4-7-14(11-13)21-3/h4-9,11-12H,10,19H2,1-3H3
InChIKeyKRQVUEKSMDKLJJ-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.01
Rot. Bonds5

About 2-(2-aminopropyl)-3-chloro-N-(3-methoxyphenyl)-N-methylaniline

2-(2-aminopropyl)-3-chloro-N-(3-methoxyphenyl)-N-methylaniline (PubChem CID 63817196) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 2-(2-aminopropyl)-3-chloro-N-(3-methoxyphenyl)-N-methylaniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-3-chloro-N-(3-methoxyphenyl)-N-methylaniline
PubChem CID63817196
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name2-(2-aminopropyl)-3-chloro-N-(3-methoxyphenyl)-N-methylaniline
SMILESCOc1cccc(N(C)c2cccc(Cl)c2CC(C)N)c1
InChIInChI=1S/C17H21ClN2O/c1-12(19)10-15-16(18)8-5-9-17(15)20(2)13-6-4-7-14(11-13)21-3/h4-9,11-12H,10,19H2,1-3H3
InChIKeyKRQVUEKSMDKLJJ-UHFFFAOYSA-N
XLogP4.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminopropyl)-3-chloro-N-(4-methoxyphenyl)-N-methylaniline
CID 63815282
3-chloro-2-(chloromethyl)-N-(3-methoxyphenyl)-N-methylaniline
CID 63567290
2-(1-aminopropyl)-N-(3-methoxyphenyl)-N-methylaniline
CID 115995121
2-(2-aminopropyl)-3-chloro-N-(2-fluorophenyl)-N-methylaniline
CID 63815822
(2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 28772492
2-(2-aminopropyl)-3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
CID 63817543
2-(2-aminopropyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline
CID 63817071
[3-chloro-4-(3-methoxy-N-methylanilino)phenyl]methanol
CID 81151607
2-(2-aminoethyl)-N-(3-methoxyphenyl)-N-methylaniline
CID 63785861
[2-(2,6-dichlorophenyl)-1-(3-methoxyphenyl)ethyl]hydrazine
CID 105191602
3-[2-(aminomethyl)-3-chloro-N-methylanilino]phenol
CID 107733664
N'-[2-(2-aminopropyl)-3-chlorophenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 63816000

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-3-chloro-N-(3-methoxyphenyl)-N-methylaniline?
The IUPAC name of 2-(2-aminopropyl)-3-chloro-N-(3-methoxyphenyl)-N-methylaniline (CID 63817196) is 2-(2-aminopropyl)-3-chloro-N-(3-methoxyphenyl)-N-methylaniline.
What is the SMILES notation for 2-(2-aminopropyl)-3-chloro-N-(3-methoxyphenyl)-N-methylaniline?
The canonical SMILES for 2-(2-aminopropyl)-3-chloro-N-(3-methoxyphenyl)-N-methylaniline is COc1cccc(N(C)c2cccc(Cl)c2CC(C)N)c1.
What is the InChIKey of 2-(2-aminopropyl)-3-chloro-N-(3-methoxyphenyl)-N-methylaniline?
The InChIKey is KRQVUEKSMDKLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-12(19)10-15-16(18)8-5-9-17(15)20(2)13-6-4-7-14(11-13)21-3/h4-9,11-12H,10,19H2,1-3H3.
What are the key properties of 2-(2-aminopropyl)-3-chloro-N-(3-methoxyphenyl)-N-methylaniline?
2-(2-aminopropyl)-3-chloro-N-(3-methoxyphenyl)-N-methylaniline has a molecular weight of 304.82 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-3-chloro-N-(3-methoxyphenyl)-N-methylaniline is sourced from PubChem (CID 63817196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).