2-(2-aminopropyl)-3-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)aniline

C17H21ClN2O — CID 63817438

IUPAC2-(2-aminopropyl)-3-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)aniline
SMILESCC(N)Cc1c(Cl)cccc1N(Cc1ccco1)C1CC1
InChIInChI=1S/C17H21ClN2O/c1-12(19)10-15-16(18)5-2-6-17(15)20(13-7-8-13)11-14-4-3-9-21-14/h2-6,9,12-13H,7-8,10-11,19H2,1H3
InChIKeyPRBUPYBLCQLJBC-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.99
Rot. Bonds6

About 2-(2-aminopropyl)-3-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)aniline

2-(2-aminopropyl)-3-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)aniline (PubChem CID 63817438) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 2-(2-aminopropyl)-3-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-3-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)aniline
PubChem CID63817438
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name2-(2-aminopropyl)-3-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)aniline
SMILESCC(N)Cc1c(Cl)cccc1N(Cc1ccco1)C1CC1
InChIInChI=1S/C17H21ClN2O/c1-12(19)10-15-16(18)5-2-6-17(15)20(13-7-8-13)11-14-4-3-9-21-14/h2-6,9,12-13H,7-8,10-11,19H2,1H3
InChIKeyPRBUPYBLCQLJBC-UHFFFAOYSA-N
XLogP3.99
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminopropyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline
CID 63817071
2-(1-aminoethyl)-5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)aniline
CID 82968919
2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine
CID 106890198
2-(2-aminobutyl)-3-chloro-N-cyclopropyl-N-(3-methylbutyl)aniline
CID 78951235
6-(1-aminopropyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyridin-3-amine
CID 115939467
2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylaniline
CID 107926140
3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-2,6-dimethylpyridin-4-amine
CID 81050858
2-chloro-N-cyclopropyl-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline
CID 81143889
3-chloro-2-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylaniline
CID 43527133
N-cyclopropyl-N-(furan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81253260
2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-5-methoxyaniline
CID 81299175
5-amino-3-chloro-2-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid
CID 107195369

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-3-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)aniline?
The IUPAC name of 2-(2-aminopropyl)-3-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)aniline (CID 63817438) is 2-(2-aminopropyl)-3-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)aniline.
What is the SMILES notation for 2-(2-aminopropyl)-3-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)aniline?
The canonical SMILES for 2-(2-aminopropyl)-3-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)aniline is CC(N)Cc1c(Cl)cccc1N(Cc1ccco1)C1CC1.
What is the InChIKey of 2-(2-aminopropyl)-3-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)aniline?
The InChIKey is PRBUPYBLCQLJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-12(19)10-15-16(18)5-2-6-17(15)20(13-7-8-13)11-14-4-3-9-21-14/h2-6,9,12-13H,7-8,10-11,19H2,1H3.
What are the key properties of 2-(2-aminopropyl)-3-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)aniline?
2-(2-aminopropyl)-3-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)aniline has a molecular weight of 304.82 g/mol, XLogP of 3.99, 6 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-cyclopropyl-N-(furan-2-ylmethyl)aniline is sourced from PubChem (CID 63817438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).