3-chloro-N-(1H-indol-3-ylmethyl)propan-1-amine

C12H15ClN2 — CID 115215625

IUPAC3-chloro-N-(1H-indol-3-ylmethyl)propan-1-amine
SMILESClCCCNCc1c[nH]c2ccccc12
InChIInChI=1S/C12H15ClN2/c13-6-3-7-14-8-10-9-15-12-5-2-1-4-11(10)12/h1-2,4-5,9,14-15H,3,6-8H2
InChIKeyLFQDTBAIGDMKCO-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.89
Rot. Bonds5

About 3-chloro-N-(1H-indol-3-ylmethyl)propan-1-amine

3-chloro-N-(1H-indol-3-ylmethyl)propan-1-amine (PubChem CID 115215625) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 3-chloro-N-(1H-indol-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-chloro-N-(1H-indol-3-ylmethyl)propan-1-amine
PubChem CID115215625
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name3-chloro-N-(1H-indol-3-ylmethyl)propan-1-amine
SMILESClCCCNCc1c[nH]c2ccccc12
InChIInChI=1S/C12H15ClN2/c13-6-3-7-14-8-10-9-15-12-5-2-1-4-11(10)12/h1-2,4-5,9,14-15H,3,6-8H2
InChIKeyLFQDTBAIGDMKCO-UHFFFAOYSA-N
XLogP2.89
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1H-indol-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 55021174
N-(1H-indol-3-ylmethyl)-2-phenoxyethanamine
CID 60663580
N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403
(1H-indol-3-ylmethylamino)methanol
CID 115228988
N-(1H-indol-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 55021172
2-butoxy-N-(1H-indol-3-ylmethyl)ethanamine
CID 62325957
2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 59506885
N-(1H-indol-3-ylmethyl)-2-pyridin-4-ylethanamine
CID 62324302
2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038
3-(1H-indol-3-ylmethylamino)-N-methylpropanamide
CID 55061964
3-[[3-(ethylamino)propylamino]methyl]-1H-quinolin-4-one;trihydrochloride
CID 121230686
1-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 62325597

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1H-indol-3-ylmethyl)propan-1-amine?
The IUPAC name of 3-chloro-N-(1H-indol-3-ylmethyl)propan-1-amine (CID 115215625) is 3-chloro-N-(1H-indol-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-chloro-N-(1H-indol-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3-chloro-N-(1H-indol-3-ylmethyl)propan-1-amine is ClCCCNCc1c[nH]c2ccccc12.
What is the InChIKey of 3-chloro-N-(1H-indol-3-ylmethyl)propan-1-amine?
The InChIKey is LFQDTBAIGDMKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c13-6-3-7-14-8-10-9-15-12-5-2-1-4-11(10)12/h1-2,4-5,9,14-15H,3,6-8H2.
What are the key properties of 3-chloro-N-(1H-indol-3-ylmethyl)propan-1-amine?
3-chloro-N-(1H-indol-3-ylmethyl)propan-1-amine has a molecular weight of 222.72 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1H-indol-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 115215625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).