[1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine

C15H17ClN2 — CID 79103464

IUPAC[1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine
SMILESNC(c1ccn(Cc2cccc(Cl)c2)c1)C1CC1
InChIInChI=1S/C15H17ClN2/c16-14-3-1-2-11(8-14)9-18-7-6-13(10-18)15(17)12-4-5-12/h1-3,6-8,10,12,15H,4-5,9,17H2
InChIKeyQTKBFHHUBDIEKP-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.60
Rot. Bonds4

About [1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine

[1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine (PubChem CID 79103464) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is [1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine.

Molecular Properties

Compound Name[1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine
PubChem CID79103464
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name[1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine
SMILESNC(c1ccn(Cc2cccc(Cl)c2)c1)C1CC1
InChIInChI=1S/C15H17ClN2/c16-14-3-1-2-11(8-14)9-18-7-6-13(10-18)15(17)12-4-5-12/h1-3,6-8,10,12,15H,4-5,9,17H2
InChIKeyQTKBFHHUBDIEKP-UHFFFAOYSA-N
XLogP3.60
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]methanamine
CID 79103466
[1-[(3-bromo-4-methoxyphenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine
CID 79103220
2-[[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]methyl]benzonitrile
CID 79103383
cyclopropyl-[1-(2-methylpropyl)pyrrol-3-yl]methanamine
CID 79104428
cyclopropyl-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]methanamine
CID 79104344
[1-[(5-bromothiophen-2-yl)methyl]pyrrol-3-yl]-cyclopropylmethanamine
CID 79104004
cyclopropyl-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanamine
CID 79104347
[1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol
CID 107883249
3-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]propan-1-ol
CID 79104431
cyclopropyl-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine
CID 79103302
N-[cyclopropyl-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79098566
1-chloro-3-(2-chloro-2-cyclopropylethyl)benzene
CID 63016501

Frequently Asked Questions

What is the IUPAC name of [1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine?
The IUPAC name of [1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine (CID 79103464) is [1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine.
What is the SMILES notation for [1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine?
The canonical SMILES for [1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine is NC(c1ccn(Cc2cccc(Cl)c2)c1)C1CC1.
What is the InChIKey of [1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine?
The InChIKey is QTKBFHHUBDIEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c16-14-3-1-2-11(8-14)9-18-7-6-13(10-18)15(17)12-4-5-12/h1-3,6-8,10,12,15H,4-5,9,17H2.
What are the key properties of [1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine?
[1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine has a molecular weight of 260.77 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine is sourced from PubChem (CID 79103464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).