(2S)-4-[amino(methyl)amino]-1-phenylbutan-2-amine;hydrochloride

C11H20ClN3 — CID 161115825

IUPAC(2S)-4-[amino(methyl)amino]-1-phenylbutan-2-amine;hydrochloride
SMILESCN(N)CC[C@@H](N)Cc1ccccc1.Cl
InChIInChI=1S/C11H19N3.ClH/c1-14(13)8-7-11(12)9-10-5-3-2-4-6-10;/h2-6,11H,7-9,12-13H2,1H3;1H/t11-;/m1./s1
InChIKeyUKHNDJLZTYYHFW-RFVHGSKJSA-N
MW229.76 g/mol
LogP1.17
Rot. Bonds5

About (2S)-4-[amino(methyl)amino]-1-phenylbutan-2-amine;hydrochloride

(2S)-4-[amino(methyl)amino]-1-phenylbutan-2-amine;hydrochloride (PubChem CID 161115825) has the molecular formula C11H20ClN3 and a molecular weight of 229.76 g/mol. Its IUPAC name is (2S)-4-[amino(methyl)amino]-1-phenylbutan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-4-[amino(methyl)amino]-1-phenylbutan-2-amine;hydrochloride
PubChem CID161115825
Molecular FormulaC11H20ClN3
Molecular Weight229.76 g/mol
Exact Mass229.13
IUPAC Name(2S)-4-[amino(methyl)amino]-1-phenylbutan-2-amine;hydrochloride
SMILESCN(N)CC[C@@H](N)Cc1ccccc1.Cl
InChIInChI=1S/C11H19N3.ClH/c1-14(13)8-7-11(12)9-10-5-3-2-4-6-10;/h2-6,11H,7-9,12-13H2,1H3;1H/t11-;/m1./s1
InChIKeyUKHNDJLZTYYHFW-RFVHGSKJSA-N
XLogP1.17
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.76
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R,5R)-1,6-diphenylhexane-2,5-diamine;methane
CID 160625551
1,4-diphenylbutan-2-amine
CID 60820174
1-methyl-1-(2-phenylethyl)hydrazine;hydrochloride
CID 46929951
(2S,5R)-1,7-diphenylheptane-2,5-diamine
CID 126603451
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961
5-methoxy-1-phenylpentan-2-amine
CID 62608693
5-amino-6-phenylhexan-2-one
CID 90094782
4-(4-methylphenyl)-1-phenylbutan-2-amine
CID 55084075
(4S)-4-amino-5-phenylpentanamide;hydrochloride
CID 137464473
azane;1-phenylpropan-2-amine
CID 67350534
1-N,1-N-dimethyl-4-pyridin-3-ylbutane-1,3-diamine
CID 104736690
2-phenylethane-1,1-diamine;dihydrochloride
CID 90190453

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[amino(methyl)amino]-1-phenylbutan-2-amine;hydrochloride?
The IUPAC name of (2S)-4-[amino(methyl)amino]-1-phenylbutan-2-amine;hydrochloride (CID 161115825) is (2S)-4-[amino(methyl)amino]-1-phenylbutan-2-amine;hydrochloride.
What is the SMILES notation for (2S)-4-[amino(methyl)amino]-1-phenylbutan-2-amine;hydrochloride?
The canonical SMILES for (2S)-4-[amino(methyl)amino]-1-phenylbutan-2-amine;hydrochloride is CN(N)CC[C@@H](N)Cc1ccccc1.Cl.
What is the InChIKey of (2S)-4-[amino(methyl)amino]-1-phenylbutan-2-amine;hydrochloride?
The InChIKey is UKHNDJLZTYYHFW-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H19N3.ClH/c1-14(13)8-7-11(12)9-10-5-3-2-4-6-10;/h2-6,11H,7-9,12-13H2,1H3;1H/t11-;/m1./s1.
What are the key properties of (2S)-4-[amino(methyl)amino]-1-phenylbutan-2-amine;hydrochloride?
(2S)-4-[amino(methyl)amino]-1-phenylbutan-2-amine;hydrochloride has a molecular weight of 229.76 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[amino(methyl)amino]-1-phenylbutan-2-amine;hydrochloride is sourced from PubChem (CID 161115825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).