1-(3-methylphenyl)-3-(1-oxaspiro[4.5]decan-2-yl)propan-2-amine

C19H29NO — CID 102901771

IUPAC1-(3-methylphenyl)-3-(1-oxaspiro[4.5]decan-2-yl)propan-2-amine
SMILESCc1cccc(CC(N)CC2CCC3(CCCCC3)O2)c1
InChIInChI=1S/C19H29NO/c1-15-6-5-7-16(12-15)13-17(20)14-18-8-11-19(21-18)9-3-2-4-10-19/h5-7,12,17-18H,2-4,8-11,13-14,20H2,1H3
InChIKeyIKNWVUZAUVLZHD-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.14
Rot. Bonds4

About 1-(3-methylphenyl)-3-(1-oxaspiro[4.5]decan-2-yl)propan-2-amine

1-(3-methylphenyl)-3-(1-oxaspiro[4.5]decan-2-yl)propan-2-amine (PubChem CID 102901771) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(1-oxaspiro[4.5]decan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(1-oxaspiro[4.5]decan-2-yl)propan-2-amine
PubChem CID102901771
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-(3-methylphenyl)-3-(1-oxaspiro[4.5]decan-2-yl)propan-2-amine
SMILESCc1cccc(CC(N)CC2CCC3(CCCCC3)O2)c1
InChIInChI=1S/C19H29NO/c1-15-6-5-7-16(12-15)13-17(20)14-18-8-11-19(21-18)9-3-2-4-10-19/h5-7,12,17-18H,2-4,8-11,13-14,20H2,1H3
InChIKeyIKNWVUZAUVLZHD-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(chloromethyl)-3-(3-methylphenyl)propyl]-1-oxaspiro[4.4]nonane
CID 102902116
2-(3-methylphenyl)-3-(1-oxaspiro[4.4]nonan-2-yl)propanoic acid
CID 102899325
2-benzyl-3-(1-oxaspiro[4.4]nonan-2-yl)propan-1-amine
CID 102900183
(1S)-1-(3-methylphenyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897573
2-(2-benzyl-3-bromopropyl)-1-oxaspiro[4.5]decane
CID 102902178
1-[3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfanyl)phenyl]ethanamine
CID 102901168
1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrol-3-yl]butan-2-amine
CID 102900728
3-(aminomethyl)-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline
CID 102896490
1-cyclopropyl-2-(3-methylphenyl)ethanamine
CID 54594185
4-methyl-1-(3-methylphenyl)pentan-2-amine
CID 59323309
2-[3-chloro-2-(4-methylphenyl)propyl]-1-oxaspiro[4.4]nonane
CID 102902263
[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine
CID 102896068

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-(1-oxaspiro[4.5]decan-2-yl)propan-2-amine?
The IUPAC name of 1-(3-methylphenyl)-3-(1-oxaspiro[4.5]decan-2-yl)propan-2-amine (CID 102901771) is 1-(3-methylphenyl)-3-(1-oxaspiro[4.5]decan-2-yl)propan-2-amine.
What is the SMILES notation for 1-(3-methylphenyl)-3-(1-oxaspiro[4.5]decan-2-yl)propan-2-amine?
The canonical SMILES for 1-(3-methylphenyl)-3-(1-oxaspiro[4.5]decan-2-yl)propan-2-amine is Cc1cccc(CC(N)CC2CCC3(CCCCC3)O2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-(1-oxaspiro[4.5]decan-2-yl)propan-2-amine?
The InChIKey is IKNWVUZAUVLZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-15-6-5-7-16(12-15)13-17(20)14-18-8-11-19(21-18)9-3-2-4-10-19/h5-7,12,17-18H,2-4,8-11,13-14,20H2,1H3.
What are the key properties of 1-(3-methylphenyl)-3-(1-oxaspiro[4.5]decan-2-yl)propan-2-amine?
1-(3-methylphenyl)-3-(1-oxaspiro[4.5]decan-2-yl)propan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-(1-oxaspiro[4.5]decan-2-yl)propan-2-amine is sourced from PubChem (CID 102901771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).