N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-methylpropan-1-amine

C14H21NO — CID 50999745

IUPACN-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-methylpropan-1-amine
SMILESCOc1ccc(/C=C/CNCC(C)C)cc1
InChIInChI=1S/C14H21NO/c1-12(2)11-15-10-4-5-13-6-8-14(16-3)9-7-13/h4-9,12,15H,10-11H2,1-3H3/b5-4+
InChIKeyGRZQRLCGNAPVIX-SNAWJCMRSA-N
MW219.33 g/mol
LogP2.95
Rot. Bonds6

About N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-methylpropan-1-amine

N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-methylpropan-1-amine (PubChem CID 50999745) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-methylpropan-1-amine
PubChem CID50999745
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-methylpropan-1-amine
SMILESCOc1ccc(/C=C/CNCC(C)C)cc1
InChIInChI=1S/C14H21NO/c1-12(2)11-15-10-4-5-13-6-8-14(16-3)9-7-13/h4-9,12,15H,10-11H2,1-3H3/b5-4+
InChIKeyGRZQRLCGNAPVIX-SNAWJCMRSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[3-(4-prop-2-enoxyphenyl)prop-2-enyl]propan-1-amine
CID 79347200
N-[3-(4-bromophenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 79347756
N-[(E)-3-[4-(difluoromethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine
CID 115525800
3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338398
2-[(4-methoxyphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339393
(E)-5-(4-methoxyphenyl)pent-4-en-2-amine
CID 55254782
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
CID 129353993
3-(6-methoxynaphthalen-2-yl)-N-propylprop-2-en-1-amine
CID 79347921
[(Z)-3-(4-methoxyphenyl)prop-2-enyl]-tri(propan-2-yl)silane
CID 134949359
3-(6-methoxynaphthalen-2-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79344285
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene
CID 135075727

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-methylpropan-1-amine (CID 50999745) is N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-methylpropan-1-amine is COc1ccc(/C=C/CNCC(C)C)cc1.
What is the InChIKey of N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-methylpropan-1-amine?
The InChIKey is GRZQRLCGNAPVIX-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H21NO/c1-12(2)11-15-10-4-5-13-6-8-14(16-3)9-7-13/h4-9,12,15H,10-11H2,1-3H3/b5-4+.
What are the key properties of N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-methylpropan-1-amine?
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-methylpropan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-methylpropan-1-amine is sourced from PubChem (CID 50999745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).