1-[4-(3-azaspiro[5.5]undecan-3-yl)-3-chlorophenyl]ethanamine

C18H27ClN2 — CID 63532102

IUPAC1-[4-(3-azaspiro[5.5]undecan-3-yl)-3-chlorophenyl]ethanamine
SMILESCC(N)c1ccc(N2CCC3(CCCCC3)CC2)c(Cl)c1
InChIInChI=1S/C18H27ClN2/c1-14(20)15-5-6-17(16(19)13-15)21-11-9-18(10-12-21)7-3-2-4-8-18/h5-6,13-14H,2-4,7-12,20H2,1H3
InChIKeyBIPULORSFSCMAY-UHFFFAOYSA-N
MW306.88 g/mol
LogP4.91
Rot. Bonds2

About 1-[4-(3-azaspiro[5.5]undecan-3-yl)-3-chlorophenyl]ethanamine

1-[4-(3-azaspiro[5.5]undecan-3-yl)-3-chlorophenyl]ethanamine (PubChem CID 63532102) has the molecular formula C18H27ClN2 and a molecular weight of 306.88 g/mol. Its IUPAC name is 1-[4-(3-azaspiro[5.5]undecan-3-yl)-3-chlorophenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(3-azaspiro[5.5]undecan-3-yl)-3-chlorophenyl]ethanamine
PubChem CID63532102
Molecular FormulaC18H27ClN2
Molecular Weight306.88 g/mol
Exact Mass306.19
IUPAC Name1-[4-(3-azaspiro[5.5]undecan-3-yl)-3-chlorophenyl]ethanamine
SMILESCC(N)c1ccc(N2CCC3(CCCCC3)CC2)c(Cl)c1
InChIInChI=1S/C18H27ClN2/c1-14(20)15-5-6-17(16(19)13-15)21-11-9-18(10-12-21)7-3-2-4-8-18/h5-6,13-14H,2-4,7-12,20H2,1H3
InChIKeyBIPULORSFSCMAY-UHFFFAOYSA-N
XLogP4.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-chloro-4-(4,4-diethylpiperidin-1-yl)phenyl]ethanamine
CID 78944491
1-[3-chloro-4-(7,7-dimethyl-1,4-thiazepan-4-yl)phenyl]ethanamine
CID 107455865
4-(3-azaspiro[5.5]undecan-3-yl)-3-chloroaniline
CID 55133879
1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 62910177
1-(3-chloro-4-thiomorpholin-4-ylphenyl)ethanamine
CID 62908663
(1R)-1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine
CID 78934597
1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63623731
1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine
CID 79188821
4-[4-(1-aminoethyl)-2-chlorophenyl]piperazine-2,6-dione
CID 66083936
[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]methanamine
CID 55165060
(1S)-1-[3-chloro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine
CID 114237230
4-(3-azaspiro[5.5]undecan-3-yl)-3-chlorobenzonitrile
CID 63510167

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-azaspiro[5.5]undecan-3-yl)-3-chlorophenyl]ethanamine?
The IUPAC name of 1-[4-(3-azaspiro[5.5]undecan-3-yl)-3-chlorophenyl]ethanamine (CID 63532102) is 1-[4-(3-azaspiro[5.5]undecan-3-yl)-3-chlorophenyl]ethanamine.
What is the SMILES notation for 1-[4-(3-azaspiro[5.5]undecan-3-yl)-3-chlorophenyl]ethanamine?
The canonical SMILES for 1-[4-(3-azaspiro[5.5]undecan-3-yl)-3-chlorophenyl]ethanamine is CC(N)c1ccc(N2CCC3(CCCCC3)CC2)c(Cl)c1.
What is the InChIKey of 1-[4-(3-azaspiro[5.5]undecan-3-yl)-3-chlorophenyl]ethanamine?
The InChIKey is BIPULORSFSCMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2/c1-14(20)15-5-6-17(16(19)13-15)21-11-9-18(10-12-21)7-3-2-4-8-18/h5-6,13-14H,2-4,7-12,20H2,1H3.
What are the key properties of 1-[4-(3-azaspiro[5.5]undecan-3-yl)-3-chlorophenyl]ethanamine?
1-[4-(3-azaspiro[5.5]undecan-3-yl)-3-chlorophenyl]ethanamine has a molecular weight of 306.88 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-azaspiro[5.5]undecan-3-yl)-3-chlorophenyl]ethanamine is sourced from PubChem (CID 63532102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).