N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3,3-dimethylbutan-2-amine

C17H29NO2 — CID 115623081

IUPACN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3,3-dimethylbutan-2-amine
SMILESCOc1cc(CNC(C)C(C)(C)C)ccc1OC(C)C
InChIInChI=1S/C17H29NO2/c1-12(2)20-15-9-8-14(10-16(15)19-7)11-18-13(3)17(4,5)6/h8-10,12-13,18H,11H2,1-7H3
InChIKeyLQSBMVYTRHAHES-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.01
Rot. Bonds6

About N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3,3-dimethylbutan-2-amine

N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3,3-dimethylbutan-2-amine (PubChem CID 115623081) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3,3-dimethylbutan-2-amine
PubChem CID115623081
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3,3-dimethylbutan-2-amine
SMILESCOc1cc(CNC(C)C(C)(C)C)ccc1OC(C)C
InChIInChI=1S/C17H29NO2/c1-12(2)20-15-9-8-14(10-16(15)19-7)11-18-13(3)17(4,5)6/h8-10,12-13,18H,11H2,1-7H3
InChIKeyLQSBMVYTRHAHES-UHFFFAOYSA-N
XLogP4.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]but-3-yn-2-amine
CID 114415529
1-cyclopropyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43400202
1-methoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 115608160
(2S)-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol
CID 28724580
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 28611814
4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenol
CID 43742604
(2R)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-phenylbutan-2-amine
CID 51989816
1-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 43391975
3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]-3-methylbutanamide
CID 106095993
3,3-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-2-amine
CID 115623175
4,4,4-trifluoro-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]butan-1-amine
CID 79037389

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3,3-dimethylbutan-2-amine?
The IUPAC name of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3,3-dimethylbutan-2-amine (CID 115623081) is N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3,3-dimethylbutan-2-amine is COc1cc(CNC(C)C(C)(C)C)ccc1OC(C)C.
What is the InChIKey of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3,3-dimethylbutan-2-amine?
The InChIKey is LQSBMVYTRHAHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-12(2)20-15-9-8-14(10-16(15)19-7)11-18-13(3)17(4,5)6/h8-10,12-13,18H,11H2,1-7H3.
What are the key properties of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3,3-dimethylbutan-2-amine?
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3,3-dimethylbutan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 115623081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).