2-chloro-N-(cyclopropylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline

C16H25ClN2 — CID 55132080

IUPAC2-chloro-N-(cyclopropylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline
SMILESCCCNC(C)c1ccc(N(C)CC2CC2)c(Cl)c1
InChIInChI=1S/C16H25ClN2/c1-4-9-18-12(2)14-7-8-16(15(17)10-14)19(3)11-13-5-6-13/h7-8,10,12-13,18H,4-6,9,11H2,1-3H3
InChIKeyHFZKVZUMSZQENN-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.25
Rot. Bonds7

About 2-chloro-N-(cyclopropylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline

2-chloro-N-(cyclopropylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline (PubChem CID 55132080) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 2-chloro-N-(cyclopropylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-N-(cyclopropylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline
PubChem CID55132080
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name2-chloro-N-(cyclopropylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline
SMILESCCCNC(C)c1ccc(N(C)CC2CC2)c(Cl)c1
InChIInChI=1S/C16H25ClN2/c1-4-9-18-12(2)14-7-8-16(15(17)10-14)19(3)11-13-5-6-13/h7-8,10,12-13,18H,4-6,9,11H2,1-3H3
InChIKeyHFZKVZUMSZQENN-UHFFFAOYSA-N
XLogP4.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[1-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethyl]propan-1-amine
CID 62911549
2-bromo-N-(cyclopropylmethyl)-N-propan-2-yl-4-[1-(propylamino)ethyl]aniline
CID 63533743
2-chloro-N-(2-methylpropyl)-N-propan-2-yl-4-[1-(propylamino)ethyl]aniline
CID 63533144
4-[(1R)-1-aminoethyl]-2-chloro-N-(cyclohexylmethyl)-N-methylaniline
CID 63532385
2-chloro-N-(cyclobutylmethyl)-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 107399202
N-[1-[3-chloro-4-(cyclopentylmethoxy)phenyl]ethyl]propan-1-amine
CID 66323711
[1-[2-chloro-4-[1-(propylamino)ethyl]phenyl]piperidin-4-yl]methanol
CID 62909344
2-chloro-N-methyl-N-(oxan-4-ylmethyl)-4-[(propan-2-ylamino)methyl]aniline
CID 81145002
2-fluoro-N-methyl-N-propyl-4-[1-(propylamino)ethyl]aniline
CID 43284666
N-[1-[4-(cyclopropylmethoxy)-3-methylphenyl]ethyl]propan-1-amine
CID 113386847
2-fluoro-N-methyl-N-(2-methylbutyl)-4-[1-(propylamino)ethyl]aniline
CID 43295957
N-(cyclopropylmethyl)-N-methyl-6-[1-(propylamino)ethyl]pyridin-3-amine
CID 83123154

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclopropylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline?
The IUPAC name of 2-chloro-N-(cyclopropylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline (CID 55132080) is 2-chloro-N-(cyclopropylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline.
What is the SMILES notation for 2-chloro-N-(cyclopropylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline?
The canonical SMILES for 2-chloro-N-(cyclopropylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline is CCCNC(C)c1ccc(N(C)CC2CC2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(cyclopropylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline?
The InChIKey is HFZKVZUMSZQENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-4-9-18-12(2)14-7-8-16(15(17)10-14)19(3)11-13-5-6-13/h7-8,10,12-13,18H,4-6,9,11H2,1-3H3.
What are the key properties of 2-chloro-N-(cyclopropylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline?
2-chloro-N-(cyclopropylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline has a molecular weight of 280.84 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclopropylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline is sourced from PubChem (CID 55132080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).