[2-(3-chlorophenyl)spiro[3.6]decan-2-yl]methanamine

C17H24ClN — CID 65007393

IUPAC[2-(3-chlorophenyl)spiro[3.6]decan-2-yl]methanamine
SMILESNCC1(c2cccc(Cl)c2)CC2(CCCCCC2)C1
InChIInChI=1S/C17H24ClN/c18-15-7-5-6-14(10-15)17(13-19)11-16(12-17)8-3-1-2-4-9-16/h5-7,10H,1-4,8-9,11-13,19H2
InChIKeyIHMMQAOMEDTRKQ-UHFFFAOYSA-N
MW277.84 g/mol
LogP4.67
Rot. Bonds2

About [2-(3-chlorophenyl)spiro[3.6]decan-2-yl]methanamine

[2-(3-chlorophenyl)spiro[3.6]decan-2-yl]methanamine (PubChem CID 65007393) has the molecular formula C17H24ClN and a molecular weight of 277.84 g/mol. Its IUPAC name is [2-(3-chlorophenyl)spiro[3.6]decan-2-yl]methanamine.

Molecular Properties

Compound Name[2-(3-chlorophenyl)spiro[3.6]decan-2-yl]methanamine
PubChem CID65007393
Molecular FormulaC17H24ClN
Molecular Weight277.84 g/mol
Exact Mass277.16
IUPAC Name[2-(3-chlorophenyl)spiro[3.6]decan-2-yl]methanamine
SMILESNCC1(c2cccc(Cl)c2)CC2(CCCCCC2)C1
InChIInChI=1S/C17H24ClN/c18-15-7-5-6-14(10-15)17(13-19)11-16(12-17)8-3-1-2-4-9-16/h5-7,10H,1-4,8-9,11-13,19H2
InChIKeyIHMMQAOMEDTRKQ-UHFFFAOYSA-N
XLogP4.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(3-bromophenyl)spiro[3.4]octan-2-yl]methanamine
CID 65003118
N-[[2-(3-chlorophenyl)spiro[3.4]octan-2-yl]methyl]-2-methylpropan-2-amine
CID 65002677
4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-amine
CID 69039976
5-(3-chlorophenyl)spiro[2.3]hexan-5-amine
CID 65008597
3-(aminomethyl)-3-(3-chlorophenyl)-1-methylcyclopentan-1-ol
CID 115043423
N-[[2-(3-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009010
N-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008821
N-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008765
[5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008436
[2-(5-chloro-2-methoxyphenyl)spiro[3.5]nonan-2-yl]methanamine
CID 65007249
[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methanamine
CID 65002969
[1-(4-chlorophenyl)cycloheptyl]methanamine
CID 28937852

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)spiro[3.6]decan-2-yl]methanamine?
The IUPAC name of [2-(3-chlorophenyl)spiro[3.6]decan-2-yl]methanamine (CID 65007393) is [2-(3-chlorophenyl)spiro[3.6]decan-2-yl]methanamine.
What is the SMILES notation for [2-(3-chlorophenyl)spiro[3.6]decan-2-yl]methanamine?
The canonical SMILES for [2-(3-chlorophenyl)spiro[3.6]decan-2-yl]methanamine is NCC1(c2cccc(Cl)c2)CC2(CCCCCC2)C1.
What is the InChIKey of [2-(3-chlorophenyl)spiro[3.6]decan-2-yl]methanamine?
The InChIKey is IHMMQAOMEDTRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN/c18-15-7-5-6-14(10-15)17(13-19)11-16(12-17)8-3-1-2-4-9-16/h5-7,10H,1-4,8-9,11-13,19H2.
What are the key properties of [2-(3-chlorophenyl)spiro[3.6]decan-2-yl]methanamine?
[2-(3-chlorophenyl)spiro[3.6]decan-2-yl]methanamine has a molecular weight of 277.84 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)spiro[3.6]decan-2-yl]methanamine is sourced from PubChem (CID 65007393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).