1-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylbutan-2-amine

C15H22ClN — CID 65024559

IUPAC1-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylbutan-2-amine
SMILESCCC(C)(CCl)NCc1ccc2c(c1)CCC2
InChIInChI=1S/C15H22ClN/c1-3-15(2,11-16)17-10-12-7-8-13-5-4-6-14(13)9-12/h7-9,17H,3-6,10-11H2,1-2H3
InChIKeySQLMKAPQJTZVRO-UHFFFAOYSA-N
MW251.80 g/mol
LogP3.67
Rot. Bonds5

About 1-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylbutan-2-amine

1-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylbutan-2-amine (PubChem CID 65024559) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 1-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylbutan-2-amine.

Molecular Properties

Compound Name1-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylbutan-2-amine
PubChem CID65024559
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name1-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylbutan-2-amine
SMILESCCC(C)(CCl)NCc1ccc2c(c1)CCC2
InChIInChI=1S/C15H22ClN/c1-3-15(2,11-16)17-10-12-7-8-13-5-4-6-14(13)9-12/h7-9,17H,3-6,10-11H2,1-2H3
InChIKeySQLMKAPQJTZVRO-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpentan-2-amine
CID 115629541
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpropanenitrile
CID 115129260
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-2-amine
CID 43163778
N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine
CID 115195816
N-[(4-fluoro-3-methylphenyl)methyl]-3-methylpentan-3-amine
CID 115630753
2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylaniline
CID 107634326
N-[(3-bromo-4-methylphenyl)methyl]-3-methylpentan-3-amine
CID 106328069
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,2,2-trifluoroethanamine
CID 60997427
1-chloro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
CID 65025267
5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)pentan-1-amine
CID 107319955
4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)hexan-3-ol
CID 166262814

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylbutan-2-amine?
The IUPAC name of 1-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylbutan-2-amine (CID 65024559) is 1-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylbutan-2-amine.
What is the SMILES notation for 1-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylbutan-2-amine?
The canonical SMILES for 1-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylbutan-2-amine is CCC(C)(CCl)NCc1ccc2c(c1)CCC2.
What is the InChIKey of 1-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylbutan-2-amine?
The InChIKey is SQLMKAPQJTZVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-3-15(2,11-16)17-10-12-7-8-13-5-4-6-14(13)9-12/h7-9,17H,3-6,10-11H2,1-2H3.
What are the key properties of 1-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylbutan-2-amine?
1-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylbutan-2-amine has a molecular weight of 251.80 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylbutan-2-amine is sourced from PubChem (CID 65024559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).