2-(2-propylphenyl)butane-2,3-diamine

C13H22N2 — CID 54378770

IUPAC2-(2-propylphenyl)butane-2,3-diamine
SMILESCCCc1ccccc1C(C)(N)C(C)N
InChIInChI=1S/C13H22N2/c1-4-7-11-8-5-6-9-12(11)13(3,15)10(2)14/h5-6,8-10H,4,7,14-15H2,1-3H3
InChIKeyUYLABEOBVRSMQV-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.16
Rot. Bonds4

About 2-(2-propylphenyl)butane-2,3-diamine

2-(2-propylphenyl)butane-2,3-diamine (PubChem CID 54378770) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-(2-propylphenyl)butane-2,3-diamine.

Molecular Properties

Compound Name2-(2-propylphenyl)butane-2,3-diamine
PubChem CID54378770
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-(2-propylphenyl)butane-2,3-diamine
SMILESCCCc1ccccc1C(C)(N)C(C)N
InChIInChI=1S/C13H22N2/c1-4-7-11-8-5-6-9-12(11)13(3,15)10(2)14/h5-6,8-10H,4,7,14-15H2,1-3H3
InChIKeyUYLABEOBVRSMQV-UHFFFAOYSA-N
XLogP2.16
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butylperoxy-2-methylpropane;1,2-dipropylbenzene
CID 162101368
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2-amino-2-methyl-1-(2-propylphenyl)propane-1-thiol
CID 155137314
(2S)-2-phenylbutane-2,3-diamine
CID 175403934
1-(1,1-difluoroethyl)-2-pentylbenzene
CID 143129325
2-(2-docosylphenyl)tetracosan-2-amine
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sodium;2-(2-dodecylphenyl)propan-2-amine;hydride;hydrochloride
CID 173446112
4-[2-(trifluoromethyl)phenyl]butan-2-amine
CID 54775947
O-(2-tert-butyl-6-propylphenyl)hydroxylamine
CID 155118579
5-(2-butylphenyl)nonan-5-amine;hydrate
CID 173000682
2-(2-bromophenyl)-3-methylhexan-2-amine
CID 107892316
(2S)-2-amino-2-[2-(2-aminoethyl)phenyl]propan-1-ol
CID 55295656

Frequently Asked Questions

What is the IUPAC name of 2-(2-propylphenyl)butane-2,3-diamine?
The IUPAC name of 2-(2-propylphenyl)butane-2,3-diamine (CID 54378770) is 2-(2-propylphenyl)butane-2,3-diamine.
What is the SMILES notation for 2-(2-propylphenyl)butane-2,3-diamine?
The canonical SMILES for 2-(2-propylphenyl)butane-2,3-diamine is CCCc1ccccc1C(C)(N)C(C)N.
What is the InChIKey of 2-(2-propylphenyl)butane-2,3-diamine?
The InChIKey is UYLABEOBVRSMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-7-11-8-5-6-9-12(11)13(3,15)10(2)14/h5-6,8-10H,4,7,14-15H2,1-3H3.
What are the key properties of 2-(2-propylphenyl)butane-2,3-diamine?
2-(2-propylphenyl)butane-2,3-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylphenyl)butane-2,3-diamine is sourced from PubChem (CID 54378770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).