3-N-ethyl-3-N-(2-phenylethyl)butane-1,3-diamine

C14H24N2 — CID 54855366

IUPAC3-N-ethyl-3-N-(2-phenylethyl)butane-1,3-diamine
SMILESCCN(CCc1ccccc1)C(C)CCN
InChIInChI=1S/C14H24N2/c1-3-16(13(2)9-11-15)12-10-14-7-5-4-6-8-14/h4-8,13H,3,9-12,15H2,1-2H3
InChIKeyRRJAPMWUANGPNZ-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.29
Rot. Bonds7

About 3-N-ethyl-3-N-(2-phenylethyl)butane-1,3-diamine

3-N-ethyl-3-N-(2-phenylethyl)butane-1,3-diamine (PubChem CID 54855366) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 3-N-ethyl-3-N-(2-phenylethyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-(2-phenylethyl)butane-1,3-diamine
PubChem CID54855366
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name3-N-ethyl-3-N-(2-phenylethyl)butane-1,3-diamine
SMILESCCN(CCc1ccccc1)C(C)CCN
InChIInChI=1S/C14H24N2/c1-3-16(13(2)9-11-15)12-10-14-7-5-4-6-8-14/h4-8,13H,3,9-12,15H2,1-2H3
InChIKeyRRJAPMWUANGPNZ-UHFFFAOYSA-N
XLogP2.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-4-phenylbutan-2-amine
CID 567866
N-ethyl-4-[4-(1-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)butan-2-amine
CID 70241422
2-N-ethyl-4-phenyl-2-N-propylbutane-1,2-diamine
CID 62880739
N,N-diethylethanamine;2-phenylethanamine
CID 67440073
acetonitrile;4-[4-(2,3-dichlorocyclobutyl)phenyl]-N-ethyl-N-(2-phenylethyl)butan-2-amine
CID 70238788
N-(2-aminoethyl)-2-(diethylamino)-N-(2-phenylethyl)butanamide
CID 120886396
2-[1-aminoethyl(2-phenylethyl)amino]ethanol
CID 174769140
4-[2-[ethyl(propan-2-yl)amino]ethyl]aniline
CID 43265922
N-methyl-4-phenyl-N-(2-phenylethyl)butan-2-amine;hydrochloride
CID 158803245
3-[ethyl(3-phenylpropyl)amino]butanoic acid
CID 62826742
2-N-benzyl-2-N-ethylpentane-1,2-diamine
CID 43126066
N-ethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62778521

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-(2-phenylethyl)butane-1,3-diamine?
The IUPAC name of 3-N-ethyl-3-N-(2-phenylethyl)butane-1,3-diamine (CID 54855366) is 3-N-ethyl-3-N-(2-phenylethyl)butane-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-(2-phenylethyl)butane-1,3-diamine?
The canonical SMILES for 3-N-ethyl-3-N-(2-phenylethyl)butane-1,3-diamine is CCN(CCc1ccccc1)C(C)CCN.
What is the InChIKey of 3-N-ethyl-3-N-(2-phenylethyl)butane-1,3-diamine?
The InChIKey is RRJAPMWUANGPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-16(13(2)9-11-15)12-10-14-7-5-4-6-8-14/h4-8,13H,3,9-12,15H2,1-2H3.
What are the key properties of 3-N-ethyl-3-N-(2-phenylethyl)butane-1,3-diamine?
3-N-ethyl-3-N-(2-phenylethyl)butane-1,3-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-(2-phenylethyl)butane-1,3-diamine is sourced from PubChem (CID 54855366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).