N-[[3-(aminomethyl)phenyl]methyl]prop-1-en-2-amine

C11H16N2 — CID 20647301

IUPACN-[[3-(aminomethyl)phenyl]methyl]prop-1-en-2-amine
SMILESC=C(C)NCc1cccc(CN)c1
InChIInChI=1S/C11H16N2/c1-9(2)13-8-11-5-3-4-10(6-11)7-12/h3-6,13H,1,7-8,12H2,2H3
InChIKeyDGFDBBAZVBUXLV-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.77
Rot. Bonds4

About N-[[3-(aminomethyl)phenyl]methyl]prop-1-en-2-amine

N-[[3-(aminomethyl)phenyl]methyl]prop-1-en-2-amine (PubChem CID 20647301) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]prop-1-en-2-amine
PubChem CID20647301
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]prop-1-en-2-amine
SMILESC=C(C)NCc1cccc(CN)c1
InChIInChI=1S/C11H16N2/c1-9(2)13-8-11-5-3-4-10(6-11)7-12/h3-6,13H,1,7-8,12H2,2H3
InChIKeyDGFDBBAZVBUXLV-UHFFFAOYSA-N
XLogP1.77
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-[[3-(2-phenylethyl)phenyl]methyl]prop-1-en-2-amine
CID 143602189
1-[[3-(aminomethyl)phenyl]methyl]-3-[[4-[[[3-(aminomethyl)phenyl]methylcarbamothioylamino]methyl]phenyl]methyl]thiourea
CID 10743755
N-[[3-(aminomethyl)phenyl]methyl]propanamide;vanadium;hydrate
CID 25061500
3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride
CID 138011978
ethane;ethyl N-[[3-(aminomethyl)phenyl]methyl]carbamate
CID 142192151
1-[[3-(aminomethyl)phenyl]methyl]-3-tert-butylurea
CID 43589459
N'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108518093
1-[[3-(aminomethyl)phenyl]methyl]-3-(cyanomethyl)urea
CID 108864734
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
N'-(3-acetylphenyl)-N-[[3-(aminomethyl)phenyl]methyl]oxamide
CID 108514930
[3-(aminomethyl)phenyl]methanamine;boric acid
CID 175765748
[3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen
CID 145400663

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]prop-1-en-2-amine?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]prop-1-en-2-amine (CID 20647301) is N-[[3-(aminomethyl)phenyl]methyl]prop-1-en-2-amine.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]prop-1-en-2-amine?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]prop-1-en-2-amine is C=C(C)NCc1cccc(CN)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]prop-1-en-2-amine?
The InChIKey is DGFDBBAZVBUXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-9(2)13-8-11-5-3-4-10(6-11)7-12/h3-6,13H,1,7-8,12H2,2H3.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]prop-1-en-2-amine?
N-[[3-(aminomethyl)phenyl]methyl]prop-1-en-2-amine has a molecular weight of 176.26 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]prop-1-en-2-amine is sourced from PubChem (CID 20647301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).