(E)-3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)prop-2-en-1-amine

C14H21NO — CID 117313206

IUPAC(E)-3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)prop-2-en-1-amine
SMILESCOc1c(C)ccc(/C=C/CN)c1C(C)C
InChIInChI=1S/C14H21NO/c1-10(2)13-12(6-5-9-15)8-7-11(3)14(13)16-4/h5-8,10H,9,15H2,1-4H3/b6-5+
InChIKeyCBFCPYUJJKZYQN-AATRIKPKSA-N
MW219.33 g/mol
LogP3.10
Rot. Bonds4

About (E)-3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)prop-2-en-1-amine

(E)-3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)prop-2-en-1-amine (PubChem CID 117313206) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (E)-3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)prop-2-en-1-amine
PubChem CID117313206
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(E)-3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)prop-2-en-1-amine
SMILESCOc1c(C)ccc(/C=C/CN)c1C(C)C
InChIInChI=1S/C14H21NO/c1-10(2)13-12(6-5-9-15)8-7-11(3)14(13)16-4/h5-8,10H,9,15H2,1-4H3/b6-5+
InChIKeyCBFCPYUJJKZYQN-AATRIKPKSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxy-4-methyl-2-propan-2-ylphenyl)propan-1-amine
CID 117317005
(E)-3-(4-fluoro-2-methoxy-3-methylphenyl)prop-2-en-1-amine
CID 117285356
2-amino-1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)ethanol
CID 84688656
(E)-3-(3-bromo-2,4-dimethoxyphenyl)prop-2-en-1-amine
CID 117432746
(E)-3-(2-ethoxy-3,4-dimethylphenyl)prop-2-en-1-amine
CID 117294018
(E)-3-(4-chloro-3-fluoro-2-methoxyphenyl)prop-2-en-1-amine
CID 117307315
1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)ethanol
CID 117297929
6-[(E)-3-aminoprop-1-enyl]-2,3-dimethylphenol
CID 117277547
(E)-3-(3,4-dimethoxy-2-methylsulfanylphenyl)prop-2-en-1-amine
CID 117351511
(E)-3-(4-chloro-2-fluoro-3-methoxy-5-methylphenyl)prop-2-en-1-amine
CID 117331523
(E)-3-(3-fluoro-2-methoxy-5-methylphenyl)prop-2-en-1-amine
CID 117285354
(E)-3-(5-bromo-2,4-dimethoxy-3-methylphenyl)prop-2-en-1-amine
CID 117460762

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)prop-2-en-1-amine (CID 117313206) is (E)-3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)prop-2-en-1-amine is COc1c(C)ccc(/C=C/CN)c1C(C)C.
What is the InChIKey of (E)-3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)prop-2-en-1-amine?
The InChIKey is CBFCPYUJJKZYQN-AATRIKPKSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(2)13-12(6-5-9-15)8-7-11(3)14(13)16-4/h5-8,10H,9,15H2,1-4H3/b6-5+.
What are the key properties of (E)-3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)prop-2-en-1-amine?
(E)-3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)prop-2-en-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 117313206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).