4-(2-aminopropyl)-N-butan-2-yl-N-butyl-2-chloroaniline

C17H29ClN2 — CID 81165870

IUPAC4-(2-aminopropyl)-N-butan-2-yl-N-butyl-2-chloroaniline
SMILESCCCCN(c1ccc(CC(C)N)cc1Cl)C(C)CC
InChIInChI=1S/C17H29ClN2/c1-5-7-10-20(14(4)6-2)17-9-8-15(11-13(3)19)12-16(17)18/h8-9,12-14H,5-7,10-11,19H2,1-4H3
InChIKeyZZNQGLXOYYGNHZ-UHFFFAOYSA-N
MW296.89 g/mol
LogP4.63
Rot. Bonds8

About 4-(2-aminopropyl)-N-butan-2-yl-N-butyl-2-chloroaniline

4-(2-aminopropyl)-N-butan-2-yl-N-butyl-2-chloroaniline (PubChem CID 81165870) has the molecular formula C17H29ClN2 and a molecular weight of 296.89 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-butan-2-yl-N-butyl-2-chloroaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-butan-2-yl-N-butyl-2-chloroaniline
PubChem CID81165870
Molecular FormulaC17H29ClN2
Molecular Weight296.89 g/mol
Exact Mass296.20
IUPAC Name4-(2-aminopropyl)-N-butan-2-yl-N-butyl-2-chloroaniline
SMILESCCCCN(c1ccc(CC(C)N)cc1Cl)C(C)CC
InChIInChI=1S/C17H29ClN2/c1-5-7-10-20(14(4)6-2)17-9-8-15(11-13(3)19)12-16(17)18/h8-9,12-14H,5-7,10-11,19H2,1-4H3
InChIKeyZZNQGLXOYYGNHZ-UHFFFAOYSA-N
XLogP4.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.89
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-N-butyl-2-chloro-4-(chloromethyl)aniline
CID 81151646
4-(2-aminopropyl)-2-chloro-N-ethyl-N-propan-2-ylaniline
CID 81165839
4-(2-aminopropyl)-N-butan-2-yl-N-butylaniline
CID 55235076
4-(2-aminopropyl)-2-chloro-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 81159811
(1R)-1-[4-[butan-2-yl(butyl)amino]-3-chlorophenyl]ethanol
CID 55225345
N'-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 81165775
4-(2-aminobutyl)-2-chloro-N-ethyl-N-propan-2-ylaniline
CID 81165840
4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 81165921
4-(2-aminopropyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline
CID 81166314
4-(2-aminobutyl)-2-chloro-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 81165942
4-[(1R)-1-aminoethyl]-2-bromo-N-butan-2-yl-N-butylaniline
CID 78944493
2-chloro-4-(methylaminomethyl)-N-pentyl-N-propan-2-ylaniline
CID 81149585

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-butan-2-yl-N-butyl-2-chloroaniline?
The IUPAC name of 4-(2-aminopropyl)-N-butan-2-yl-N-butyl-2-chloroaniline (CID 81165870) is 4-(2-aminopropyl)-N-butan-2-yl-N-butyl-2-chloroaniline.
What is the SMILES notation for 4-(2-aminopropyl)-N-butan-2-yl-N-butyl-2-chloroaniline?
The canonical SMILES for 4-(2-aminopropyl)-N-butan-2-yl-N-butyl-2-chloroaniline is CCCCN(c1ccc(CC(C)N)cc1Cl)C(C)CC.
What is the InChIKey of 4-(2-aminopropyl)-N-butan-2-yl-N-butyl-2-chloroaniline?
The InChIKey is ZZNQGLXOYYGNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClN2/c1-5-7-10-20(14(4)6-2)17-9-8-15(11-13(3)19)12-16(17)18/h8-9,12-14H,5-7,10-11,19H2,1-4H3.
What are the key properties of 4-(2-aminopropyl)-N-butan-2-yl-N-butyl-2-chloroaniline?
4-(2-aminopropyl)-N-butan-2-yl-N-butyl-2-chloroaniline has a molecular weight of 296.89 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-butan-2-yl-N-butyl-2-chloroaniline is sourced from PubChem (CID 81165870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).