N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)methanamine

C13H20N2O — CID 115244164

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(CNCC2(CN)CC2)c1
InChIInChI=1S/C13H20N2O/c1-16-12-4-2-3-11(7-12)8-15-10-13(9-14)5-6-13/h2-4,7,15H,5-6,8-10,14H2,1H3
InChIKeyXWQKWTMFPCAPKF-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.52
Rot. Bonds6

About N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)methanamine

N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)methanamine (PubChem CID 115244164) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)methanamine
PubChem CID115244164
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(CNCC2(CN)CC2)c1
InChIInChI=1S/C13H20N2O/c1-16-12-4-2-3-11(7-12)8-15-10-13(9-14)5-6-13/h2-4,7,15H,5-6,8-10,14H2,1H3
InChIKeyXWQKWTMFPCAPKF-UHFFFAOYSA-N
XLogP1.52
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[(3-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750075
3-[[(3-methoxyphenyl)methylamino]methyl]thiolan-3-ol
CID 111629704
[1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine
CID 80603141
N'-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69239709
N'-[2-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69239417
N-(hydrazinylmethyl)-1-(3-methoxyphenyl)methanamine
CID 115260862
cis-(1R,2S)-4-(2-methoxyethoxymethyl)-4-[[(3-methoxyphenyl)methylamino]methyl]cyclopentane-1,2-diol;hydrochloride
CID 127021192
N-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 3575354
N-[[1-[(3-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 62724802
N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 54940038
1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine
CID 43298537
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)methanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)methanamine (CID 115244164) is N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)methanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)methanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)methanamine is COc1cccc(CNCC2(CN)CC2)c1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)methanamine?
The InChIKey is XWQKWTMFPCAPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-16-12-4-2-3-11(7-12)8-15-10-13(9-14)5-6-13/h2-4,7,15H,5-6,8-10,14H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)methanamine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)methanamine has a molecular weight of 220.32 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)methanamine is sourced from PubChem (CID 115244164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).