N-[(4-methoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride

C11H16ClNO — CID 17291776

IUPACN-[(4-methoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
SMILESC=CCNCc1ccc(OC)cc1.Cl
InChIInChI=1S/C11H15NO.ClH/c1-3-8-12-9-10-4-6-11(13-2)7-5-10;/h3-7,12H,1,8-9H2,2H3;1H
InChIKeyMPPYOSQQDUIWDT-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.39
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride

N-[(4-methoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride (PubChem CID 17291776) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
PubChem CID17291776
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC NameN-[(4-methoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
SMILESC=CCNCc1ccc(OC)cc1.Cl
InChIInChI=1S/C11H15NO.ClH/c1-3-8-12-9-10-4-6-11(13-2)7-5-10;/h3-7,12H,1,8-9H2,2H3;1H
InChIKeyMPPYOSQQDUIWDT-UHFFFAOYSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345
methyl 2-[4-[(prop-2-enylamino)methyl]phenoxy]acetate
CID 18778485
2-imino-N-[(4-methoxyphenyl)methyl]ethanamine
CID 178177456
N-[(2,4-dimethoxyphenyl)methyl]prop-2-en-1-amine
CID 4722371
N-(bromomethyl)-1-(4-methoxyphenyl)methanamine
CID 115261836
2-[(4-methoxyphenyl)methylamino]ethanol;hydrochloride
CID 17292349
2-tert-butyl-N-[(4-methoxyphenyl)methyl]pent-4-en-1-amine
CID 10730152
3-ethenoxy-N-[(4-methoxyphenyl)methyl]propan-1-amine
CID 4789471
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 775262
1-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine
CID 43220519
[4-[[(4-methoxyphenyl)methylamino]methyl]phenyl]-methylideneoxidanium
CID 22965611

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride?
The IUPAC name of N-[(4-methoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride (CID 17291776) is N-[(4-methoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride is C=CCNCc1ccc(OC)cc1.Cl.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride?
The InChIKey is MPPYOSQQDUIWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-3-8-12-9-10-4-6-11(13-2)7-5-10;/h3-7,12H,1,8-9H2,2H3;1H.
What are the key properties of N-[(4-methoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride?
N-[(4-methoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 17291776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).