N,N-bis(methylamino)-2-phenylethanamine

C10H17N3 — CID 68810650

IUPACN,N-bis(methylamino)-2-phenylethanamine
SMILESCNN(CCc1ccccc1)NC
InChIInChI=1S/C10H17N3/c1-11-13(12-2)9-8-10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3
InChIKeyIEIILPZDTABNTE-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.80
Rot. Bonds5

About N,N-bis(methylamino)-2-phenylethanamine

N,N-bis(methylamino)-2-phenylethanamine (PubChem CID 68810650) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N,N-bis(methylamino)-2-phenylethanamine.

Molecular Properties

Compound NameN,N-bis(methylamino)-2-phenylethanamine
PubChem CID68810650
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN,N-bis(methylamino)-2-phenylethanamine
SMILESCNN(CCc1ccccc1)NC
InChIInChI=1S/C10H17N3/c1-11-13(12-2)9-8-10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3
InChIKeyIEIILPZDTABNTE-UHFFFAOYSA-N
XLogP0.80
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-phenylethanamine;hydrazine
CID 159470324
N,N-diamino-2-phenylethanamine
CID 18409381
1-methyl-1-(2-phenylethyl)hydrazine;hydrochloride
CID 46929951
benzene;2-phenylethylbenzene
CID 18982764
1-N,2-N-dimethyl-1-N-(2-phenylethyl)propane-1,2-diamine
CID 20979710
N-methylmethanamine;N-methyl-2-phenylethanamine
CID 22563284
N-isocyano-N-(2-phenylethyl)hydroxylamine
CID 172700292
hydroxy(2-phenylethyl)carbamic acid
CID 87254387
ethane;methane;2-phenylethylbenzene
CID 158652330
N-(4-methylphenyl)-N-(2-phenylethyl)hydroxylamine
CID 57021705
N-hydroxy-N-(2-phenylethyl)formamide
CID 87396822
N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine
CID 59482591

Frequently Asked Questions

What is the IUPAC name of N,N-bis(methylamino)-2-phenylethanamine?
The IUPAC name of N,N-bis(methylamino)-2-phenylethanamine (CID 68810650) is N,N-bis(methylamino)-2-phenylethanamine.
What is the SMILES notation for N,N-bis(methylamino)-2-phenylethanamine?
The canonical SMILES for N,N-bis(methylamino)-2-phenylethanamine is CNN(CCc1ccccc1)NC.
What is the InChIKey of N,N-bis(methylamino)-2-phenylethanamine?
The InChIKey is IEIILPZDTABNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-11-13(12-2)9-8-10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3.
What are the key properties of N,N-bis(methylamino)-2-phenylethanamine?
N,N-bis(methylamino)-2-phenylethanamine has a molecular weight of 179.27 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(methylamino)-2-phenylethanamine is sourced from PubChem (CID 68810650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).