N-[2-[2-(aminomethyl)phenoxy]ethyl]-N-(cyclopropylmethyl)propan-1-amine

C16H26N2O — CID 43478990

IUPACN-[2-[2-(aminomethyl)phenoxy]ethyl]-N-(cyclopropylmethyl)propan-1-amine
SMILESCCCN(CCOc1ccccc1CN)CC1CC1
InChIInChI=1S/C16H26N2O/c1-2-9-18(13-14-7-8-14)10-11-19-16-6-4-3-5-15(16)12-17/h3-6,14H,2,7-13,17H2,1H3
InChIKeyWLGATDZVKLNXTK-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.65
Rot. Bonds9

About N-[2-[2-(aminomethyl)phenoxy]ethyl]-N-(cyclopropylmethyl)propan-1-amine

N-[2-[2-(aminomethyl)phenoxy]ethyl]-N-(cyclopropylmethyl)propan-1-amine (PubChem CID 43478990) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[2-[2-(aminomethyl)phenoxy]ethyl]-N-(cyclopropylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(aminomethyl)phenoxy]ethyl]-N-(cyclopropylmethyl)propan-1-amine
PubChem CID43478990
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[2-[2-(aminomethyl)phenoxy]ethyl]-N-(cyclopropylmethyl)propan-1-amine
SMILESCCCN(CCOc1ccccc1CN)CC1CC1
InChIInChI=1S/C16H26N2O/c1-2-9-18(13-14-7-8-14)10-11-19-16-6-4-3-5-15(16)12-17/h3-6,14H,2,7-13,17H2,1H3
InChIKeyWLGATDZVKLNXTK-UHFFFAOYSA-N
XLogP2.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine
CID 16787209
1-[2-[2-[cyclopropylmethyl(propyl)amino]ethoxy]phenyl]ethanone
CID 60689525
N-(cyclopropylmethyl)-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 23822564
N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-ethylethanamine
CID 63696644
N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 43588461
[2-[3-(2-cyclopropylethoxy)propoxy]phenyl]methanamine
CID 114157324
[2-[2-(1-methylazetidin-3-yl)ethoxy]phenyl]methanamine
CID 84686072
2-[[cyclobutylmethyl(propyl)amino]methyl]aniline
CID 65460357
N-(cyclopropylmethyl)-N-methyl-2-[2-(methylaminomethyl)phenoxy]ethanamine
CID 55074002
N'-[2-[2-(aminomethyl)phenoxy]ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695677
[2-[3-(4-methylcyclohexyl)oxypropoxy]phenyl]methanamine
CID 43254199
2-[[cyclohexylmethyl(propyl)amino]methyl]aniline
CID 43459942

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(aminomethyl)phenoxy]ethyl]-N-(cyclopropylmethyl)propan-1-amine?
The IUPAC name of N-[2-[2-(aminomethyl)phenoxy]ethyl]-N-(cyclopropylmethyl)propan-1-amine (CID 43478990) is N-[2-[2-(aminomethyl)phenoxy]ethyl]-N-(cyclopropylmethyl)propan-1-amine.
What is the SMILES notation for N-[2-[2-(aminomethyl)phenoxy]ethyl]-N-(cyclopropylmethyl)propan-1-amine?
The canonical SMILES for N-[2-[2-(aminomethyl)phenoxy]ethyl]-N-(cyclopropylmethyl)propan-1-amine is CCCN(CCOc1ccccc1CN)CC1CC1.
What is the InChIKey of N-[2-[2-(aminomethyl)phenoxy]ethyl]-N-(cyclopropylmethyl)propan-1-amine?
The InChIKey is WLGATDZVKLNXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-9-18(13-14-7-8-14)10-11-19-16-6-4-3-5-15(16)12-17/h3-6,14H,2,7-13,17H2,1H3.
What are the key properties of N-[2-[2-(aminomethyl)phenoxy]ethyl]-N-(cyclopropylmethyl)propan-1-amine?
N-[2-[2-(aminomethyl)phenoxy]ethyl]-N-(cyclopropylmethyl)propan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(aminomethyl)phenoxy]ethyl]-N-(cyclopropylmethyl)propan-1-amine is sourced from PubChem (CID 43478990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).