1-chloro-N,3,4-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C14H20ClN — CID 115484975

IUPAC1-chloro-N,3,4-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCNC1CCCCc2c(Cl)cc(C)c(C)c21
InChIInChI=1S/C14H20ClN/c1-9-8-12(15)11-6-4-5-7-13(16-3)14(11)10(9)2/h8,13,16H,4-7H2,1-3H3
InChIKeyPQKQEDZWNMDJMX-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.94
Rot. Bonds1

About 1-chloro-N,3,4-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

1-chloro-N,3,4-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 115484975) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 1-chloro-N,3,4-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound Name1-chloro-N,3,4-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID115484975
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name1-chloro-N,3,4-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCNC1CCCCc2c(Cl)cc(C)c(C)c21
InChIInChI=1S/C14H20ClN/c1-9-8-12(15)11-6-4-5-7-13(16-3)14(11)10(9)2/h8,13,16H,4-7H2,1-3H3
InChIKeyPQKQEDZWNMDJMX-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-chloro-N,3,4-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-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

(5R)-1-chloro-3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 115484988
5-chloro-7,8-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62737088
N,1,3-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62730070
1-chloro-3,4-difluoro-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 107477722
1-chloro-3-fluoro-N,4,7,7-tetramethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 81051231
7-chloro-N,5-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 155205881
9-chloro-N,6-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512693
1,3-difluoro-4-methyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79732480
4,5-dichloro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 61382890
1-(2,5-dichloro-4-methylphenyl)-3-(methylamino)pyrrolidin-2-one
CID 104727309
7-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 84628008
1-(2-bromo-5-chloro-4-methylphenyl)-3-(methylamino)piperidin-2-one
CID 113445697

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N,3,4-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of 1-chloro-N,3,4-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 115484975) is 1-chloro-N,3,4-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for 1-chloro-N,3,4-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for 1-chloro-N,3,4-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is CNC1CCCCc2c(Cl)cc(C)c(C)c21.
What is the InChIKey of 1-chloro-N,3,4-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is PQKQEDZWNMDJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-9-8-12(15)11-6-4-5-7-13(16-3)14(11)10(9)2/h8,13,16H,4-7H2,1-3H3.
What are the key properties of 1-chloro-N,3,4-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
1-chloro-N,3,4-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 237.77 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N,3,4-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 115484975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).