N,N-diamino-2-phenylethanamine

C8H13N3 — CID 18409381

IUPACN,N-diamino-2-phenylethanamine
SMILESNN(N)CCc1ccccc1
InChIInChI=1S/C8H13N3/c9-11(10)7-6-8-4-2-1-3-5-8/h1-5H,6-7,9-10H2
InChIKeyAMMLEPZFMACYQY-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.28
Rot. Bonds3

About N,N-diamino-2-phenylethanamine

N,N-diamino-2-phenylethanamine (PubChem CID 18409381) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is N,N-diamino-2-phenylethanamine.

Molecular Properties

Compound NameN,N-diamino-2-phenylethanamine
PubChem CID18409381
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC NameN,N-diamino-2-phenylethanamine
SMILESNN(N)CCc1ccccc1
InChIInChI=1S/C8H13N3/c9-11(10)7-6-8-4-2-1-3-5-8/h1-5H,6-7,9-10H2
InChIKeyAMMLEPZFMACYQY-UHFFFAOYSA-N
XLogP0.28
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.28
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

1-methyl-1-(2-phenylethyl)hydrazine;hydrochloride
CID 46929951
N,N-dimethyl-2-phenylethanamine;hydrazine
CID 159470324
benzene;2-phenylethylbenzene
CID 18982764
azane;2-phenylethanamine
CID 23506485
1-(3-fluoropropyl)-1-(2-phenylethyl)hydrazine
CID 89336502
N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine
CID 59482591
hafnium;2-phenylethylbenzene
CID 173109801
N,N'-diamino-N-(2-phenylethyl)ethanimidamide
CID 143176208
1-hydroxy-1-(2-phenylethyl)urea
CID 10241398
N,N-bis(methylamino)-2-phenylethanamine
CID 68810650
(Z)-2-[amino(2-phenylethyl)amino]-1,2-dibromoethenamine;ethane
CID 144642375
N-oxido-N-(2-phenylethyl)prop-2-en-1-amine
CID 87692566

Frequently Asked Questions

What is the IUPAC name of N,N-diamino-2-phenylethanamine?
The IUPAC name of N,N-diamino-2-phenylethanamine (CID 18409381) is N,N-diamino-2-phenylethanamine.
What is the SMILES notation for N,N-diamino-2-phenylethanamine?
The canonical SMILES for N,N-diamino-2-phenylethanamine is NN(N)CCc1ccccc1.
What is the InChIKey of N,N-diamino-2-phenylethanamine?
The InChIKey is AMMLEPZFMACYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c9-11(10)7-6-8-4-2-1-3-5-8/h1-5H,6-7,9-10H2.
What are the key properties of N,N-diamino-2-phenylethanamine?
N,N-diamino-2-phenylethanamine has a molecular weight of 151.21 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diamino-2-phenylethanamine is sourced from PubChem (CID 18409381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).