N-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C18H25Cl2N — CID 43223783

IUPACN-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCC(NC1CCC2CCCCC2C1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H25Cl2N/c1-12(14-7-9-17(19)18(20)11-14)21-16-8-6-13-4-2-3-5-15(13)10-16/h7,9,11-13,15-16,21H,2-6,8,10H2,1H3
InChIKeyGOYISCHTINNXGP-UHFFFAOYSA-N
MW326.31 g/mol
LogP6.00
Rot. Bonds3

About N-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 43223783) has the molecular formula C18H25Cl2N and a molecular weight of 326.31 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID43223783
Molecular FormulaC18H25Cl2N
Molecular Weight326.31 g/mol
Exact Mass325.14
IUPAC NameN-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCC(NC1CCC2CCCCC2C1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H25Cl2N/c1-12(14-7-9-17(19)18(20)11-14)21-16-8-6-13-4-2-3-5-15(13)10-16/h7,9,11-13,15-16,21H,2-6,8,10H2,1H3
InChIKeyGOYISCHTINNXGP-UHFFFAOYSA-N
XLogP6.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.31
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine with MolForge

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Related Compounds

N-[1-(3,4-dichlorophenyl)ethyl]cyclohexanamine
CID 43078885
N-[1-(3,4-dichlorophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107447869
N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81406202
N-[(1R)-1-(4-bromophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81353587
3-cyclopropyl-N-[1-(4-propan-2-ylphenyl)ethyl]cyclohexan-1-amine
CID 64593706
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 81366711
(1R,6S)-N-[1-(3,4-dichlorophenyl)ethyl]bicyclo[4.1.0]heptan-2-amine
CID 112739956
N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81368804
N-[1-(3,4-dichlorophenyl)ethyl]oxan-4-amine
CID 43608497
N-[1-(3,4-dichlorophenyl)ethyl]thian-4-amine
CID 43394908
N-[1-(3,4-dichlorophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 113429583
N-[(1R)-1-pyridin-3-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81407407

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 43223783) is N-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is CC(NC1CCC2CCCCC2C1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is GOYISCHTINNXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl2N/c1-12(14-7-9-17(19)18(20)11-14)21-16-8-6-13-4-2-3-5-15(13)10-16/h7,9,11-13,15-16,21H,2-6,8,10H2,1H3.
What are the key properties of N-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 326.31 g/mol, XLogP of 6.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 43223783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).