(4-butylphenyl)-cyclopropylmethanamine

C14H21N — CID 5034809

IUPAC(4-butylphenyl)-cyclopropylmethanamine
SMILESCCCCc1ccc(C(N)C2CC2)cc1
InChIInChI=1S/C14H21N/c1-2-3-4-11-5-7-12(8-6-11)14(15)13-9-10-13/h5-8,13-14H,2-4,9-10,15H2,1H3
InChIKeyRTYOJTFRWJLYFY-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.44
Rot. Bonds5

About (4-butylphenyl)-cyclopropylmethanamine

(4-butylphenyl)-cyclopropylmethanamine (PubChem CID 5034809) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (4-butylphenyl)-cyclopropylmethanamine.

Molecular Properties

Compound Name(4-butylphenyl)-cyclopropylmethanamine
PubChem CID5034809
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(4-butylphenyl)-cyclopropylmethanamine
SMILESCCCCc1ccc(C(N)C2CC2)cc1
InChIInChI=1S/C14H21N/c1-2-3-4-11-5-7-12(8-6-11)14(15)13-9-10-13/h5-8,13-14H,2-4,9-10,15H2,1H3
InChIKeyRTYOJTFRWJLYFY-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-butylphenyl)-cyclobutylmethanamine
CID 43198183
(4-propylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105144448
(4-butylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66476100
2-(4-butylphenyl)-2-cyclopropylacetaldehyde
CID 112507846
cyclopropyl-[4-(2-methylpropyl)phenyl]methanamine
CID 4579734
azetidin-3-yl-(4-propylphenyl)methanamine
CID 116935291
2-(4-butylphenyl)-2-cyclopropylacetic acid
CID 112508140
[4-[(R)-amino(cyclopropyl)methyl]phenyl]methanol
CID 130727327
3-[4-[amino(cyclopropyl)methyl]phenyl]propanoic acid
CID 105474317
3-amino-2-(4-butylphenoxy)-3-cyclopropylpropan-1-ol
CID 114358352
1-(4-butylphenyl)-N'-cyclohexylmethanediamine
CID 175117275
4-butyl-N-(dicyclopropylmethyl)aniline
CID 43362849

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)-cyclopropylmethanamine?
The IUPAC name of (4-butylphenyl)-cyclopropylmethanamine (CID 5034809) is (4-butylphenyl)-cyclopropylmethanamine.
What is the SMILES notation for (4-butylphenyl)-cyclopropylmethanamine?
The canonical SMILES for (4-butylphenyl)-cyclopropylmethanamine is CCCCc1ccc(C(N)C2CC2)cc1.
What is the InChIKey of (4-butylphenyl)-cyclopropylmethanamine?
The InChIKey is RTYOJTFRWJLYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-2-3-4-11-5-7-12(8-6-11)14(15)13-9-10-13/h5-8,13-14H,2-4,9-10,15H2,1H3.
What are the key properties of (4-butylphenyl)-cyclopropylmethanamine?
(4-butylphenyl)-cyclopropylmethanamine has a molecular weight of 203.33 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)-cyclopropylmethanamine is sourced from PubChem (CID 5034809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).