N-[(2-chloro-6-methoxyphenyl)methyl]spiro[3.5]nonan-3-amine

C17H24ClNO — CID 103292227

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]spiro[3.5]nonan-3-amine
SMILESCOc1cccc(Cl)c1CNC1CCC12CCCCC2
InChIInChI=1S/C17H24ClNO/c1-20-15-7-5-6-14(18)13(15)12-19-16-8-11-17(16)9-3-2-4-10-17/h5-7,16,19H,2-4,8-12H2,1H3
InChIKeyOHVBRHTYKWDANR-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.55
Rot. Bonds4

About N-[(2-chloro-6-methoxyphenyl)methyl]spiro[3.5]nonan-3-amine

N-[(2-chloro-6-methoxyphenyl)methyl]spiro[3.5]nonan-3-amine (PubChem CID 103292227) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]spiro[3.5]nonan-3-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]spiro[3.5]nonan-3-amine
PubChem CID103292227
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]spiro[3.5]nonan-3-amine
SMILESCOc1cccc(Cl)c1CNC1CCC12CCCCC2
InChIInChI=1S/C17H24ClNO/c1-20-15-7-5-6-14(18)13(15)12-19-16-8-11-17(16)9-3-2-4-10-17/h5-7,16,19H,2-4,8-12H2,1H3
InChIKeyOHVBRHTYKWDANR-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-chloro-6-methoxyphenyl)methyl]spiro[3.5]nonan-3-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-chloro-6-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 104816053
N-[(2-chloro-6-methoxyphenyl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 103292030
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 104815987
N-[(2-chloro-6-methoxyphenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 104816003
N-[(2-chloro-6-methoxyphenyl)methyl]-1,1-dioxothian-4-amine
CID 104815757
N-[(2-chloro-6-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 103291927
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671630
1-(2-chloro-6-methoxyphenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735799
N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylcycloheptan-1-amine
CID 103291935
N-(2,6-dichlorophenyl)spiro[3.5]nonan-3-amine
CID 102952018
N-[(2-chloro-6-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562453
1-[(2-chloro-6-methoxyphenyl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 103291925

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]spiro[3.5]nonan-3-amine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]spiro[3.5]nonan-3-amine (CID 103292227) is N-[(2-chloro-6-methoxyphenyl)methyl]spiro[3.5]nonan-3-amine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]spiro[3.5]nonan-3-amine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]spiro[3.5]nonan-3-amine is COc1cccc(Cl)c1CNC1CCC12CCCCC2.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]spiro[3.5]nonan-3-amine?
The InChIKey is OHVBRHTYKWDANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-20-15-7-5-6-14(18)13(15)12-19-16-8-11-17(16)9-3-2-4-10-17/h5-7,16,19H,2-4,8-12H2,1H3.
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]spiro[3.5]nonan-3-amine?
N-[(2-chloro-6-methoxyphenyl)methyl]spiro[3.5]nonan-3-amine has a molecular weight of 293.84 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]spiro[3.5]nonan-3-amine is sourced from PubChem (CID 103292227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).