N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-cyclopropylbutan-2-amine

C16H22ClNO — CID 66393770

IUPACN-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-cyclopropylbutan-2-amine
SMILESCCC(CC1CC1)NCC1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C16H22ClNO/c1-2-14(7-11-3-4-11)18-10-15-9-12-8-13(17)5-6-16(12)19-15/h5-6,8,11,14-15,18H,2-4,7,9-10H2,1H3
InChIKeyBMPIJBRCQGBHRP-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.81
Rot. Bonds6

About N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-cyclopropylbutan-2-amine

N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-cyclopropylbutan-2-amine (PubChem CID 66393770) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-cyclopropylbutan-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-cyclopropylbutan-2-amine
PubChem CID66393770
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC NameN-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-cyclopropylbutan-2-amine
SMILESCCC(CC1CC1)NCC1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C16H22ClNO/c1-2-14(7-11-3-4-11)18-10-15-9-12-8-13(17)5-6-16(12)19-15/h5-6,8,11,14-15,18H,2-4,7,9-10H2,1H3
InChIKeyBMPIJBRCQGBHRP-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-cyclopropylbutan-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-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-cyclopropylbutan-2-amine
CID 66393771
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-cyclohexylethanamine
CID 66391635
(1S)-N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenylethanamine
CID 66392619
(1S)-N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(3-chlorophenyl)ethanamine
CID 81370641
2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-3-methylbutanoic acid
CID 66361012
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylsulfanylaniline
CID 66391204
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 66392607
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methylpyrrolidin-3-amine
CID 66392403
3-[[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]pentan-3-ol
CID 66393011
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-propoxypropan-1-amine
CID 82943812
2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-4-methylpentanoic acid
CID 66359860
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 66392610

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-cyclopropylbutan-2-amine?
The IUPAC name of N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-cyclopropylbutan-2-amine (CID 66393770) is N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-cyclopropylbutan-2-amine.
What is the SMILES notation for N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-cyclopropylbutan-2-amine?
The canonical SMILES for N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-cyclopropylbutan-2-amine is CCC(CC1CC1)NCC1Cc2cc(Cl)ccc2O1.
What is the InChIKey of N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-cyclopropylbutan-2-amine?
The InChIKey is BMPIJBRCQGBHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-2-14(7-11-3-4-11)18-10-15-9-12-8-13(17)5-6-16(12)19-15/h5-6,8,11,14-15,18H,2-4,7,9-10H2,1H3.
What are the key properties of N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-cyclopropylbutan-2-amine?
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-cyclopropylbutan-2-amine has a molecular weight of 279.81 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-cyclopropylbutan-2-amine is sourced from PubChem (CID 66393770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).