N-(3,5-dichlorophenyl)-4-propan-2-ylcycloheptan-1-amine

C16H23Cl2N — CID 65087825

IUPACN-(3,5-dichlorophenyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(Nc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C16H23Cl2N/c1-11(2)12-4-3-5-15(7-6-12)19-16-9-13(17)8-14(18)10-16/h8-12,15,19H,3-7H2,1-2H3
InChIKeyQHYAIOBCDOVVKB-UHFFFAOYSA-N
MW300.27 g/mol
LogP6.01
Rot. Bonds3

About N-(3,5-dichlorophenyl)-4-propan-2-ylcycloheptan-1-amine

N-(3,5-dichlorophenyl)-4-propan-2-ylcycloheptan-1-amine (PubChem CID 65087825) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-propan-2-ylcycloheptan-1-amine
PubChem CID65087825
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC NameN-(3,5-dichlorophenyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(Nc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C16H23Cl2N/c1-11(2)12-4-3-5-15(7-6-12)19-16-9-13(17)8-14(18)10-16/h8-12,15,19H,3-7H2,1-2H3
InChIKeyQHYAIOBCDOVVKB-UHFFFAOYSA-N
XLogP6.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.27
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dichloro-4-[(4-propan-2-ylcyclohexyl)amino]phenol
CID 107679381
N-(3-fluoro-5-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 79055016
3,5-dichloro-N-(3-methylcyclohexyl)aniline
CID 43111020
N-(3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65087459
N-(4-chloro-2-iodophenyl)-4-propan-2-ylcycloheptan-1-amine
CID 107631697
4-(3,5-dichloroanilino)cyclohexan-1-ol
CID 54546506
4-N-(3,5-dichlorophenyl)cyclohexane-1,4-diamine
CID 79724077
3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447823
1-N-(3,5-dichlorophenyl)cyclohexane-1,3-diamine
CID 79458620
N-(3,4-dimethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65087618
3-chloro-N-cyclopentyl-5-fluoroaniline
CID 115743691
3,5-difluoro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447829

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-4-propan-2-ylcycloheptan-1-amine (CID 65087825) is N-(3,5-dichlorophenyl)-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-propan-2-ylcycloheptan-1-amine is CC(C)C1CCCC(Nc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is QHYAIOBCDOVVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-11(2)12-4-3-5-15(7-6-12)19-16-9-13(17)8-14(18)10-16/h8-12,15,19H,3-7H2,1-2H3.
What are the key properties of N-(3,5-dichlorophenyl)-4-propan-2-ylcycloheptan-1-amine?
N-(3,5-dichlorophenyl)-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 300.27 g/mol, XLogP of 6.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65087825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).