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

C16H18N2O — CID 116996675

IUPAC4-[3-[1-(aminomethyl)cyclopropyl]phenoxy]aniline
SMILESNCC1(c2cccc(Oc3ccc(N)cc3)c2)CC1
InChIInChI=1S/C16H18N2O/c17-11-16(8-9-16)12-2-1-3-15(10-12)19-14-6-4-13(18)5-7-14/h1-7,10H,8-9,11,17-18H2
InChIKeyLMNBKMXHSAKNDN-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.05
Rot. Bonds4

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

4-[3-[1-(aminomethyl)cyclopropyl]phenoxy]aniline (PubChem CID 116996675) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[3-[1-(aminomethyl)cyclopropyl]phenoxy]aniline.

Molecular Properties

Compound Name4-[3-[1-(aminomethyl)cyclopropyl]phenoxy]aniline
PubChem CID116996675
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-[3-[1-(aminomethyl)cyclopropyl]phenoxy]aniline
SMILESNCC1(c2cccc(Oc3ccc(N)cc3)c2)CC1
InChIInChI=1S/C16H18N2O/c17-11-16(8-9-16)12-2-1-3-15(10-12)19-14-6-4-13(18)5-7-14/h1-7,10H,8-9,11,17-18H2
InChIKeyLMNBKMXHSAKNDN-UHFFFAOYSA-N
XLogP3.05
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.05
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)cyclobutyl]phenoxy]aniline
CID 116996678
3-[1-(aminomethyl)cyclopropyl]aniline
CID 82275301
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
9,9-bis[3-(4-aminophenoxy)phenyl]fluorene-2,7-diamine
CID 18003176
3-[4-(4-aminophenoxy)phenoxy]aniline
CID 22184043
[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]methanamine
CID 117405750
[4-(3-methoxyphenyl)oxan-4-yl]methanamine
CID 61264029
[1-[3-[1-(aminomethyl)cyclopropyl]phenyl]cyclopropyl]methanol
CID 117112180
[5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008436
4-[3-(1-amino-2-methylpropan-2-yl)phenoxy]aniline
CID 116996629
[1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentyl]methanamine
CID 117405631
[1-(3-phenylmethoxyphenyl)cyclopentyl]methanamine
CID 117451817

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(aminomethyl)cyclopropyl]phenoxy]aniline?
The IUPAC name of 4-[3-[1-(aminomethyl)cyclopropyl]phenoxy]aniline (CID 116996675) is 4-[3-[1-(aminomethyl)cyclopropyl]phenoxy]aniline.
What is the SMILES notation for 4-[3-[1-(aminomethyl)cyclopropyl]phenoxy]aniline?
The canonical SMILES for 4-[3-[1-(aminomethyl)cyclopropyl]phenoxy]aniline is NCC1(c2cccc(Oc3ccc(N)cc3)c2)CC1.
What is the InChIKey of 4-[3-[1-(aminomethyl)cyclopropyl]phenoxy]aniline?
The InChIKey is LMNBKMXHSAKNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c17-11-16(8-9-16)12-2-1-3-15(10-12)19-14-6-4-13(18)5-7-14/h1-7,10H,8-9,11,17-18H2.
What are the key properties of 4-[3-[1-(aminomethyl)cyclopropyl]phenoxy]aniline?
4-[3-[1-(aminomethyl)cyclopropyl]phenoxy]aniline has a molecular weight of 254.33 g/mol, XLogP of 3.05, 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)cyclopropyl]phenoxy]aniline is sourced from PubChem (CID 116996675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).