N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-(cyclopropylmethyl)propan-1-amine

C16H26N2O — CID 62017800

IUPACN-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-(cyclopropylmethyl)propan-1-amine
SMILESCCCN(Cc1cc(CN)ccc1OC)CC1CC1
InChIInChI=1S/C16H26N2O/c1-3-8-18(11-13-4-5-13)12-15-9-14(10-17)6-7-16(15)19-2/h6-7,9,13H,3-5,8,10-12,17H2,1-2H3
InChIKeyFMYWEDHFOHBZAO-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.78
Rot. Bonds8

About N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-(cyclopropylmethyl)propan-1-amine

N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-(cyclopropylmethyl)propan-1-amine (PubChem CID 62017800) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-(cyclopropylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-(cyclopropylmethyl)propan-1-amine
PubChem CID62017800
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-(cyclopropylmethyl)propan-1-amine
SMILESCCCN(Cc1cc(CN)ccc1OC)CC1CC1
InChIInChI=1S/C16H26N2O/c1-3-8-18(11-13-4-5-13)12-15-9-14(10-17)6-7-16(15)19-2/h6-7,9,13H,3-5,8,10-12,17H2,1-2H3
InChIKeyFMYWEDHFOHBZAO-UHFFFAOYSA-N
XLogP2.78
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62019836
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-cyclohexyl-N-methylmethanamine
CID 62018368
N-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine
CID 783025
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63726480
[3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride
CID 156589399
[3-[(dipropylamino)methyl]-4-methoxyphenyl]methanol
CID 62018767
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 65338383
N-(cyclobutylmethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]ethanamine
CID 107398013
4-chloro-2-[[cyclopropylmethyl(propyl)amino]methyl]aniline
CID 79582315
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 65338284
N-[[3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107454527
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine
CID 62430054

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-(cyclopropylmethyl)propan-1-amine?
The IUPAC name of N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-(cyclopropylmethyl)propan-1-amine (CID 62017800) is N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-(cyclopropylmethyl)propan-1-amine.
What is the SMILES notation for N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-(cyclopropylmethyl)propan-1-amine?
The canonical SMILES for N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-(cyclopropylmethyl)propan-1-amine is CCCN(Cc1cc(CN)ccc1OC)CC1CC1.
What is the InChIKey of N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-(cyclopropylmethyl)propan-1-amine?
The InChIKey is FMYWEDHFOHBZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-8-18(11-13-4-5-13)12-15-9-14(10-17)6-7-16(15)19-2/h6-7,9,13H,3-5,8,10-12,17H2,1-2H3.
What are the key properties of N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-(cyclopropylmethyl)propan-1-amine?
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-(cyclopropylmethyl)propan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-(cyclopropylmethyl)propan-1-amine is sourced from PubChem (CID 62017800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).