3-[4-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-ethylpropan-1-amine

C16H26N2O — CID 63954103

IUPAC3-[4-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-ethylpropan-1-amine
SMILESCCN(CCCOc1ccc(CN)cc1)CC1CC1
InChIInChI=1S/C16H26N2O/c1-2-18(13-15-4-5-15)10-3-11-19-16-8-6-14(12-17)7-9-16/h6-9,15H,2-5,10-13,17H2,1H3
InChIKeyFTBOAJNWWKYGMW-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.65
Rot. Bonds9

About 3-[4-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-ethylpropan-1-amine

3-[4-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-ethylpropan-1-amine (PubChem CID 63954103) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[4-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-ethylpropan-1-amine
PubChem CID63954103
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[4-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-ethylpropan-1-amine
SMILESCCN(CCCOc1ccc(CN)cc1)CC1CC1
InChIInChI=1S/C16H26N2O/c1-2-18(13-15-4-5-15)10-3-11-19-16-8-6-14(12-17)7-9-16/h6-9,15H,2-5,10-13,17H2,1H3
InChIKeyFTBOAJNWWKYGMW-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

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[cyclopropylmethyl(ethyl)amino]propoxy]benzonitrile
CID 63956799
4-[4-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine
CID 21465327
N-[3-[4-(aminomethyl)phenoxy]propyl]-N,2-diethylbutan-1-amine
CID 43588416
3-[3-[cyclopropylmethyl(ethyl)amino]propoxy]benzonitrile
CID 63955781
N-[3-[4-(aminomethyl)phenoxy]propyl]-N-propylcyclopropanamine
CID 43270088
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-hexadecylhexadecan-1-amine
CID 12760487
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine
CID 43264634
2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine
CID 54898422
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266852
[4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine
CID 43254346
N'-[3-[4-(aminomethyl)phenoxy]propyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694110
N-(cyclopropylmethyl)-N-ethyl-3-phenylpropan-1-amine
CID 102476941

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-ethylpropan-1-amine?
The IUPAC name of 3-[4-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-ethylpropan-1-amine (CID 63954103) is 3-[4-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-ethylpropan-1-amine.
What is the SMILES notation for 3-[4-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-ethylpropan-1-amine?
The canonical SMILES for 3-[4-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-ethylpropan-1-amine is CCN(CCCOc1ccc(CN)cc1)CC1CC1.
What is the InChIKey of 3-[4-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-ethylpropan-1-amine?
The InChIKey is FTBOAJNWWKYGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-18(13-15-4-5-15)10-3-11-19-16-8-6-14(12-17)7-9-16/h6-9,15H,2-5,10-13,17H2,1H3.
What are the key properties of 3-[4-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-ethylpropan-1-amine?
3-[4-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-ethylpropan-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 3-[4-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-ethylpropan-1-amine is sourced from PubChem (CID 63954103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).