(4-cyclopropyloxyphenyl)-(1-methoxycyclobutyl)methanamine

C15H21NO2 — CID 114519781

IUPAC(4-cyclopropyloxyphenyl)-(1-methoxycyclobutyl)methanamine
SMILESCOC1(C(N)c2ccc(OC3CC3)cc2)CCC1
InChIInChI=1S/C15H21NO2/c1-17-15(9-2-10-15)14(16)11-3-5-12(6-4-11)18-13-7-8-13/h3-6,13-14H,2,7-10,16H2,1H3
InChIKeyDDOIIMQQVXWKLE-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.80
Rot. Bonds5

About (4-cyclopropyloxyphenyl)-(1-methoxycyclobutyl)methanamine

(4-cyclopropyloxyphenyl)-(1-methoxycyclobutyl)methanamine (PubChem CID 114519781) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (4-cyclopropyloxyphenyl)-(1-methoxycyclobutyl)methanamine.

Molecular Properties

Compound Name(4-cyclopropyloxyphenyl)-(1-methoxycyclobutyl)methanamine
PubChem CID114519781
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(4-cyclopropyloxyphenyl)-(1-methoxycyclobutyl)methanamine
SMILESCOC1(C(N)c2ccc(OC3CC3)cc2)CCC1
InChIInChI=1S/C15H21NO2/c1-17-15(9-2-10-15)14(16)11-3-5-12(6-4-11)18-13-7-8-13/h3-6,13-14H,2,7-10,16H2,1H3
InChIKeyDDOIIMQQVXWKLE-UHFFFAOYSA-N
XLogP2.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-cyclopropyloxyphenyl)-(1-ethylcyclopentyl)methanamine
CID 105051512
(3-fluoro-4-methoxyphenyl)-(1-methoxycyclobutyl)methanamine
CID 116713947
1-(4-cyclopropyloxyphenyl)-2-methylpropan-1-amine
CID 114519212
1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155890234
(3,5-dimethoxyphenyl)-(1-methoxycyclopentyl)methanamine
CID 104610743
(3,5-dimethylphenyl)-(1-methoxycycloheptyl)methanamine
CID 116769915
cycloheptyl-(4-cyclopropyloxyphenyl)methanamine
CID 114519512
(1-ethoxycyclopentyl)-(4-propan-2-yloxyphenyl)methanamine
CID 116761739
(3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanol
CID 114521465
(1-methoxycyclobutyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 116714051
(1-methoxycycloheptyl)-(3-methylphenyl)methanamine
CID 116769914
(1R)-1-[4-(3-methoxycyclohexyl)oxyphenyl]ethanamine
CID 78958674

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyloxyphenyl)-(1-methoxycyclobutyl)methanamine?
The IUPAC name of (4-cyclopropyloxyphenyl)-(1-methoxycyclobutyl)methanamine (CID 114519781) is (4-cyclopropyloxyphenyl)-(1-methoxycyclobutyl)methanamine.
What is the SMILES notation for (4-cyclopropyloxyphenyl)-(1-methoxycyclobutyl)methanamine?
The canonical SMILES for (4-cyclopropyloxyphenyl)-(1-methoxycyclobutyl)methanamine is COC1(C(N)c2ccc(OC3CC3)cc2)CCC1.
What is the InChIKey of (4-cyclopropyloxyphenyl)-(1-methoxycyclobutyl)methanamine?
The InChIKey is DDOIIMQQVXWKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-17-15(9-2-10-15)14(16)11-3-5-12(6-4-11)18-13-7-8-13/h3-6,13-14H,2,7-10,16H2,1H3.
What are the key properties of (4-cyclopropyloxyphenyl)-(1-methoxycyclobutyl)methanamine?
(4-cyclopropyloxyphenyl)-(1-methoxycyclobutyl)methanamine has a molecular weight of 247.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyloxyphenyl)-(1-methoxycyclobutyl)methanamine is sourced from PubChem (CID 114519781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).