3-[3-(2-methyl-2-propylpentoxy)phenyl]propan-1-amine

C18H31NO — CID 143785905

IUPAC3-[3-(2-methyl-2-propylpentoxy)phenyl]propan-1-amine
SMILESCCCC(C)(CCC)COc1cccc(CCCN)c1
InChIInChI=1S/C18H31NO/c1-4-11-18(3,12-5-2)15-20-17-10-6-8-16(14-17)9-7-13-19/h6,8,10,14H,4-5,7,9,11-13,15,19H2,1-3H3
InChIKeyGBFUZCHMAPZJEF-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.56
Rot. Bonds10

About 3-[3-(2-methyl-2-propylpentoxy)phenyl]propan-1-amine

3-[3-(2-methyl-2-propylpentoxy)phenyl]propan-1-amine (PubChem CID 143785905) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 3-[3-(2-methyl-2-propylpentoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(2-methyl-2-propylpentoxy)phenyl]propan-1-amine
PubChem CID143785905
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name3-[3-(2-methyl-2-propylpentoxy)phenyl]propan-1-amine
SMILESCCCC(C)(CCC)COc1cccc(CCCN)c1
InChIInChI=1S/C18H31NO/c1-4-11-18(3,12-5-2)15-20-17-10-6-8-16(14-17)9-7-13-19/h6,8,10,14H,4-5,7,9,11-13,15,19H2,1-3H3
InChIKeyGBFUZCHMAPZJEF-UHFFFAOYSA-N
XLogP4.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[3-(2-methyl-2-propylpentoxy)phenoxy]propan-1-amine
CID 71018378
2-[(3-methoxyphenyl)methyl]-2-methylpentan-1-amine
CID 62724090
3-[3-(3-methoxy-3-propylhexyl)phenyl]propan-1-amine
CID 42610459
1-(3,3-dimethylbutyl)-3-(2,2-dimethylpropoxy)benzene
CID 118887194
3-[3-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]phenyl]propan-1-amine
CID 67316685
3-[3-(2,2-dimethylhexyl)phenyl]propan-1-amine
CID 71016135
3-[3-[(2R)-butan-2-yl]oxyphenyl]propan-1-amine
CID 141378858
3-[3-(3-aminopropyl)phenoxy]-3-methylbutan-2-one
CID 20605201
1-[3-(3-aminopropyl)phenyl]-2-methylhexan-2-ol
CID 42610750
3-[3-[(4-bromophenyl)methoxy]phenyl]propan-1-amine
CID 170867815
3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propan-1-amine
CID 71018372
tert-butyl 2-[3-(3-aminopropyl)phenoxy]-2-methylpropanoate
CID 18766464

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methyl-2-propylpentoxy)phenyl]propan-1-amine?
The IUPAC name of 3-[3-(2-methyl-2-propylpentoxy)phenyl]propan-1-amine (CID 143785905) is 3-[3-(2-methyl-2-propylpentoxy)phenyl]propan-1-amine.
What is the SMILES notation for 3-[3-(2-methyl-2-propylpentoxy)phenyl]propan-1-amine?
The canonical SMILES for 3-[3-(2-methyl-2-propylpentoxy)phenyl]propan-1-amine is CCCC(C)(CCC)COc1cccc(CCCN)c1.
What is the InChIKey of 3-[3-(2-methyl-2-propylpentoxy)phenyl]propan-1-amine?
The InChIKey is GBFUZCHMAPZJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-4-11-18(3,12-5-2)15-20-17-10-6-8-16(14-17)9-7-13-19/h6,8,10,14H,4-5,7,9,11-13,15,19H2,1-3H3.
What are the key properties of 3-[3-(2-methyl-2-propylpentoxy)phenyl]propan-1-amine?
3-[3-(2-methyl-2-propylpentoxy)phenyl]propan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methyl-2-propylpentoxy)phenyl]propan-1-amine is sourced from PubChem (CID 143785905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).