1-[[4-(3-methoxy-3-methylbutyl)phenyl]methyl]cyclopropan-1-amine

C16H25NO — CID 117116075

IUPAC1-[[4-(3-methoxy-3-methylbutyl)phenyl]methyl]cyclopropan-1-amine
SMILESCOC(C)(C)CCc1ccc(CC2(N)CC2)cc1
InChIInChI=1S/C16H25NO/c1-15(2,18-3)9-8-13-4-6-14(7-5-13)12-16(17)10-11-16/h4-7H,8-12,17H2,1-3H3
InChIKeyDRBMMAZTKODRQH-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.08
Rot. Bonds6

About 1-[[4-(3-methoxy-3-methylbutyl)phenyl]methyl]cyclopropan-1-amine

1-[[4-(3-methoxy-3-methylbutyl)phenyl]methyl]cyclopropan-1-amine (PubChem CID 117116075) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[[4-(3-methoxy-3-methylbutyl)phenyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[4-(3-methoxy-3-methylbutyl)phenyl]methyl]cyclopropan-1-amine
PubChem CID117116075
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[[4-(3-methoxy-3-methylbutyl)phenyl]methyl]cyclopropan-1-amine
SMILESCOC(C)(C)CCc1ccc(CC2(N)CC2)cc1
InChIInChI=1S/C16H25NO/c1-15(2,18-3)9-8-13-4-6-14(7-5-13)12-16(17)10-11-16/h4-7H,8-12,17H2,1-3H3
InChIKeyDRBMMAZTKODRQH-UHFFFAOYSA-N
XLogP3.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-methoxy-3-methylbutyl)phenyl]-2-methylpropan-2-amine
CID 117111980
4-[4-(3-methoxy-3-methylbutyl)phenyl]butan-1-amine
CID 117115635
(E)-3-[4-(3-methoxy-3-methylbutyl)phenyl]prop-2-en-1-amine
CID 115111046
1-[[4-(2,2-dimethylpropyl)phenyl]methyl]cyclopropan-1-amine
CID 117310114
2-[4-(3-methoxy-3-methylbutyl)phenyl]acetonitrile
CID 115110938
1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride
CID 75361270
2-[4-[(1-aminocyclopropyl)methyl]phenyl]ethanol
CID 117116056
1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]cyclopropan-1-amine
CID 117400107
2-[4-(3-methoxy-3-methylbutyl)phenyl]pyrrolidine
CID 117116747
1-[(4-iodophenyl)methyl]cyclopropan-1-amine
CID 58506888
2-hydroxy-2-[4-(3-methoxy-3-methylbutyl)phenyl]acetic acid
CID 117108518
1-[[4-(2-methylsulfonylpropan-2-yl)phenyl]methyl]cyclopropan-1-amine
CID 117116098

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-methoxy-3-methylbutyl)phenyl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[4-(3-methoxy-3-methylbutyl)phenyl]methyl]cyclopropan-1-amine (CID 117116075) is 1-[[4-(3-methoxy-3-methylbutyl)phenyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[4-(3-methoxy-3-methylbutyl)phenyl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[4-(3-methoxy-3-methylbutyl)phenyl]methyl]cyclopropan-1-amine is COC(C)(C)CCc1ccc(CC2(N)CC2)cc1.
What is the InChIKey of 1-[[4-(3-methoxy-3-methylbutyl)phenyl]methyl]cyclopropan-1-amine?
The InChIKey is DRBMMAZTKODRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(2,18-3)9-8-13-4-6-14(7-5-13)12-16(17)10-11-16/h4-7H,8-12,17H2,1-3H3.
What are the key properties of 1-[[4-(3-methoxy-3-methylbutyl)phenyl]methyl]cyclopropan-1-amine?
1-[[4-(3-methoxy-3-methylbutyl)phenyl]methyl]cyclopropan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-methoxy-3-methylbutyl)phenyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 117116075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).