N-[3-[4-(aminomethyl)phenoxy]propyl]-N-propylcyclopropanamine

C16H26N2O — CID 43270088

IUPACN-[3-[4-(aminomethyl)phenoxy]propyl]-N-propylcyclopropanamine
SMILESCCCN(CCCOc1ccc(CN)cc1)C1CC1
InChIInChI=1S/C16H26N2O/c1-2-10-18(15-6-7-15)11-3-12-19-16-8-4-14(13-17)5-9-16/h4-5,8-9,15H,2-3,6-7,10-13,17H2,1H3
InChIKeyPJNUAPRLSUDTJJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.79
Rot. Bonds9

About N-[3-[4-(aminomethyl)phenoxy]propyl]-N-propylcyclopropanamine

N-[3-[4-(aminomethyl)phenoxy]propyl]-N-propylcyclopropanamine (PubChem CID 43270088) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[3-[4-(aminomethyl)phenoxy]propyl]-N-propylcyclopropanamine.

Molecular Properties

Compound NameN-[3-[4-(aminomethyl)phenoxy]propyl]-N-propylcyclopropanamine
PubChem CID43270088
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[3-[4-(aminomethyl)phenoxy]propyl]-N-propylcyclopropanamine
SMILESCCCN(CCCOc1ccc(CN)cc1)C1CC1
InChIInChI=1S/C16H26N2O/c1-2-10-18(15-6-7-15)11-3-12-19-16-8-4-14(13-17)5-9-16/h4-5,8-9,15H,2-3,6-7,10-13,17H2,1H3
InChIKeyPJNUAPRLSUDTJJ-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
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

N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-propylcyclopropanamine
CID 43270084
3-[2-[4-(aminomethyl)phenoxy]ethyl-cyclobutylamino]propan-1-ol
CID 102860586
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine
CID 43264634
N-[2-(4-bromophenoxy)ethyl]-N-propylcyclopropanamine
CID 54971490
3-[4-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-ethylpropan-1-amine
CID 63954103
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266852
[4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine
CID 43254346
[4-(4-butoxyphenyl)phenyl]methanamine
CID 43366436
(4-decoxyphenyl)methanamine
CID 55187501
[4-(3-pentoxypropoxy)phenyl]methanamine
CID 43275017
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63167098
4-[4-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine
CID 21465327

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(aminomethyl)phenoxy]propyl]-N-propylcyclopropanamine?
The IUPAC name of N-[3-[4-(aminomethyl)phenoxy]propyl]-N-propylcyclopropanamine (CID 43270088) is N-[3-[4-(aminomethyl)phenoxy]propyl]-N-propylcyclopropanamine.
What is the SMILES notation for N-[3-[4-(aminomethyl)phenoxy]propyl]-N-propylcyclopropanamine?
The canonical SMILES for N-[3-[4-(aminomethyl)phenoxy]propyl]-N-propylcyclopropanamine is CCCN(CCCOc1ccc(CN)cc1)C1CC1.
What is the InChIKey of N-[3-[4-(aminomethyl)phenoxy]propyl]-N-propylcyclopropanamine?
The InChIKey is PJNUAPRLSUDTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-10-18(15-6-7-15)11-3-12-19-16-8-4-14(13-17)5-9-16/h4-5,8-9,15H,2-3,6-7,10-13,17H2,1H3.
What are the key properties of N-[3-[4-(aminomethyl)phenoxy]propyl]-N-propylcyclopropanamine?
N-[3-[4-(aminomethyl)phenoxy]propyl]-N-propylcyclopropanamine has a molecular weight of 262.40 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(aminomethyl)phenoxy]propyl]-N-propylcyclopropanamine is sourced from PubChem (CID 43270088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).