3-[4-(3-aminobutan-2-yl)phenyl]butan-2-amine;dihydrochloride

C14H26Cl2N2 — CID 57375944

IUPAC3-[4-(3-aminobutan-2-yl)phenyl]butan-2-amine;dihydrochloride
SMILESCC(N)C(C)c1ccc(C(C)C(C)N)cc1.Cl.Cl
InChIInChI=1S/C14H24N2.2ClH/c1-9(11(3)15)13-5-7-14(8-6-13)10(2)12(4)16;;/h5-12H,15-16H2,1-4H3;2*1H
InChIKeyNBNLIFLKAYJGRR-UHFFFAOYSA-N
MW293.28 g/mol
LogP3.43
Rot. Bonds4

About 3-[4-(3-aminobutan-2-yl)phenyl]butan-2-amine;dihydrochloride

3-[4-(3-aminobutan-2-yl)phenyl]butan-2-amine;dihydrochloride (PubChem CID 57375944) has the molecular formula C14H26Cl2N2 and a molecular weight of 293.28 g/mol. Its IUPAC name is 3-[4-(3-aminobutan-2-yl)phenyl]butan-2-amine;dihydrochloride.

Molecular Properties

Compound Name3-[4-(3-aminobutan-2-yl)phenyl]butan-2-amine;dihydrochloride
PubChem CID57375944
Molecular FormulaC14H26Cl2N2
Molecular Weight293.28 g/mol
Exact Mass292.15
IUPAC Name3-[4-(3-aminobutan-2-yl)phenyl]butan-2-amine;dihydrochloride
SMILESCC(N)C(C)c1ccc(C(C)C(C)N)cc1.Cl.Cl
InChIInChI=1S/C14H24N2.2ClH/c1-9(11(3)15)13-5-7-14(8-6-13)10(2)12(4)16;;/h5-12H,15-16H2,1-4H3;2*1H
InChIKeyNBNLIFLKAYJGRR-UHFFFAOYSA-N
XLogP3.43
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[4-(difluoromethylsulfonyl)phenyl]butan-2-amine
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3-naphthalen-2-ylbutan-2-amine
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4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride
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4-(1-amino-2-phenylpropyl)phenol;hydrochloride
CID 67712087
N'-[4-(3-aminobutan-2-yl)phenyl]thiophene-2-carboximidamide
CID 142085142
(1S)-1-(4-bromophenyl)ethanamine;hydrochloride
CID 53484870
4-[(1R)-1-aminoethyl]phenol;hydrochloride
CID 127264624
2-amino-1-(4-fluorophenyl)propan-1-ol;hydrochloride
CID 86346411
(2R,3R)-butane-2,3-diamine;dihydrochloride
CID 90474575

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-aminobutan-2-yl)phenyl]butan-2-amine;dihydrochloride?
The IUPAC name of 3-[4-(3-aminobutan-2-yl)phenyl]butan-2-amine;dihydrochloride (CID 57375944) is 3-[4-(3-aminobutan-2-yl)phenyl]butan-2-amine;dihydrochloride.
What is the SMILES notation for 3-[4-(3-aminobutan-2-yl)phenyl]butan-2-amine;dihydrochloride?
The canonical SMILES for 3-[4-(3-aminobutan-2-yl)phenyl]butan-2-amine;dihydrochloride is CC(N)C(C)c1ccc(C(C)C(C)N)cc1.Cl.Cl.
What is the InChIKey of 3-[4-(3-aminobutan-2-yl)phenyl]butan-2-amine;dihydrochloride?
The InChIKey is NBNLIFLKAYJGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2.2ClH/c1-9(11(3)15)13-5-7-14(8-6-13)10(2)12(4)16;;/h5-12H,15-16H2,1-4H3;2*1H.
What are the key properties of 3-[4-(3-aminobutan-2-yl)phenyl]butan-2-amine;dihydrochloride?
3-[4-(3-aminobutan-2-yl)phenyl]butan-2-amine;dihydrochloride has a molecular weight of 293.28 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-aminobutan-2-yl)phenyl]butan-2-amine;dihydrochloride is sourced from PubChem (CID 57375944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).