N-[(2-chloro-6-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C18H26ClNO — CID 103291927

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCOc1cccc(Cl)c1CNC1CCC2CCCCC2C1
InChIInChI=1S/C18H26ClNO/c1-21-18-8-4-7-17(19)16(18)12-20-15-10-9-13-5-2-3-6-14(13)11-15/h4,7-8,13-15,20H,2-3,5-6,9-12H2,1H3
InChIKeyBOEIDIFUUNBFPZ-UHFFFAOYSA-N
MW307.86 g/mol
LogP4.80
Rot. Bonds4

About N-[(2-chloro-6-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-[(2-chloro-6-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 103291927) has the molecular formula C18H26ClNO and a molecular weight of 307.86 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID103291927
Molecular FormulaC18H26ClNO
Molecular Weight307.86 g/mol
Exact Mass307.17
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCOc1cccc(Cl)c1CNC1CCC2CCCCC2C1
InChIInChI=1S/C18H26ClNO/c1-21-18-8-4-7-17(19)16(18)12-20-15-10-9-13-5-2-3-6-14(13)11-15/h4,7-8,13-15,20H,2-3,5-6,9-12H2,1H3
InChIKeyBOEIDIFUUNBFPZ-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.86
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671630
N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylcycloheptan-1-amine
CID 103291935
N-[(2-chloro-6-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562453
N-[(2-chloro-6-methoxyphenyl)methyl]-1,1-dioxothian-4-amine
CID 104815757
N-[(2-chloro-6-methoxyphenyl)methyl]-2-propan-2-yloxan-4-amine
CID 103897258
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-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine
CID 114319363
N-[(2-chloro-6-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 104816053
N-[(2-chloro-6-methoxyphenyl)methyl]spiro[3.5]nonan-3-amine
CID 103292227
5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 115641852
(2R,4aS,8aR)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 11945324

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 103291927) is N-[(2-chloro-6-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is COc1cccc(Cl)c1CNC1CCC2CCCCC2C1.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is BOEIDIFUUNBFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-21-18-8-4-7-17(19)16(18)12-20-15-10-9-13-5-2-3-6-14(13)11-15/h4,7-8,13-15,20H,2-3,5-6,9-12H2,1H3.
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-[(2-chloro-6-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 307.86 g/mol, XLogP of 4.80, 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]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 103291927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).