4-[3-[1-(aminomethyl)cyclobutyl]phenoxy]aniline

C17H20N2O — CID 116996678

IUPAC4-[3-[1-(aminomethyl)cyclobutyl]phenoxy]aniline
SMILESNCC1(c2cccc(Oc3ccc(N)cc3)c2)CCC1
InChIInChI=1S/C17H20N2O/c18-12-17(9-2-10-17)13-3-1-4-16(11-13)20-15-7-5-14(19)6-8-15/h1,3-8,11H,2,9-10,12,18-19H2
InChIKeyLSLQSAZALLMKLR-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.44
Rot. Bonds4

About 4-[3-[1-(aminomethyl)cyclobutyl]phenoxy]aniline

4-[3-[1-(aminomethyl)cyclobutyl]phenoxy]aniline (PubChem CID 116996678) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[3-[1-(aminomethyl)cyclobutyl]phenoxy]aniline.

Molecular Properties

Compound Name4-[3-[1-(aminomethyl)cyclobutyl]phenoxy]aniline
PubChem CID116996678
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-[3-[1-(aminomethyl)cyclobutyl]phenoxy]aniline
SMILESNCC1(c2cccc(Oc3ccc(N)cc3)c2)CCC1
InChIInChI=1S/C17H20N2O/c18-12-17(9-2-10-17)13-3-1-4-16(11-13)20-15-7-5-14(19)6-8-15/h1,3-8,11H,2,9-10,12,18-19H2
InChIKeyLSLQSAZALLMKLR-UHFFFAOYSA-N
XLogP3.44
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[3-[1-(aminomethyl)cyclopropyl]phenoxy]aniline
CID 116996675
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
3-[1-(aminomethyl)cyclopropyl]aniline
CID 82275301
[1-(3-phenylmethoxyphenyl)cyclopentyl]methanamine
CID 117451817
[1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentyl]methanamine
CID 117405631
[1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclohexyl]methanamine
CID 117438827
[1-[3-(oxan-4-yloxy)phenyl]cyclohexyl]methanamine
CID 117467815
9,9-bis[3-(4-aminophenoxy)phenyl]fluorene-2,7-diamine
CID 18003176
3-[4-(4-aminophenoxy)phenoxy]aniline
CID 22184043
[1-[3-(difluoromethyl)phenyl]cyclobutyl]methanamine
CID 117301607
3-[1-(aminomethyl)cyclobutyl]-N,N-dimethylaniline
CID 82609365
[4-(3-methoxyphenyl)oxan-4-yl]methanamine
CID 61264029

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(aminomethyl)cyclobutyl]phenoxy]aniline?
The IUPAC name of 4-[3-[1-(aminomethyl)cyclobutyl]phenoxy]aniline (CID 116996678) is 4-[3-[1-(aminomethyl)cyclobutyl]phenoxy]aniline.
What is the SMILES notation for 4-[3-[1-(aminomethyl)cyclobutyl]phenoxy]aniline?
The canonical SMILES for 4-[3-[1-(aminomethyl)cyclobutyl]phenoxy]aniline is NCC1(c2cccc(Oc3ccc(N)cc3)c2)CCC1.
What is the InChIKey of 4-[3-[1-(aminomethyl)cyclobutyl]phenoxy]aniline?
The InChIKey is LSLQSAZALLMKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c18-12-17(9-2-10-17)13-3-1-4-16(11-13)20-15-7-5-14(19)6-8-15/h1,3-8,11H,2,9-10,12,18-19H2.
What are the key properties of 4-[3-[1-(aminomethyl)cyclobutyl]phenoxy]aniline?
4-[3-[1-(aminomethyl)cyclobutyl]phenoxy]aniline has a molecular weight of 268.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(aminomethyl)cyclobutyl]phenoxy]aniline is sourced from PubChem (CID 116996678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).