3-N-butan-2-yl-1-N-phenylbenzene-1,3-diamine

C16H20N2 — CID 70460627

IUPAC3-N-butan-2-yl-1-N-phenylbenzene-1,3-diamine
SMILESCCC(C)Nc1cccc(Nc2ccccc2)c1
InChIInChI=1S/C16H20N2/c1-3-13(2)17-15-10-7-11-16(12-15)18-14-8-5-4-6-9-14/h4-13,17-18H,3H2,1-2H3
InChIKeyRGAPFOLRSZUETF-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.64
Rot. Bonds5

About 3-N-butan-2-yl-1-N-phenylbenzene-1,3-diamine

3-N-butan-2-yl-1-N-phenylbenzene-1,3-diamine (PubChem CID 70460627) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-N-butan-2-yl-1-N-phenylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-butan-2-yl-1-N-phenylbenzene-1,3-diamine
PubChem CID70460627
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name3-N-butan-2-yl-1-N-phenylbenzene-1,3-diamine
SMILESCCC(C)Nc1cccc(Nc2ccccc2)c1
InChIInChI=1S/C16H20N2/c1-3-13(2)17-15-10-7-11-16(12-15)18-14-8-5-4-6-9-14/h4-13,17-18H,3H2,1-2H3
InChIKeyRGAPFOLRSZUETF-UHFFFAOYSA-N
XLogP4.64
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-3-methylsulfanylaniline
CID 43191081
4-N-[4-(4-anilinoanilino)pentan-2-yl]-1-N-phenylbenzene-1,4-diamine
CID 129234717
N-butan-2-yl-3-[1-(ethylamino)ethyl]aniline
CID 79677847
1-[4-(butan-2-ylamino)phenyl]-3-phenylurea
CID 112980502
4-N-(1-aminopropyl)-1-N-phenylbenzene-1,4-diamine
CID 66809670
4-N-(5-methylheptan-3-yl)-1-N-phenylbenzene-1,4-diamine
CID 19781413
4-anilino-N-butan-2-ylpyridine-2-carboxamide
CID 109203318
4-(butan-2-ylamino)-N-phenylpyridine-2-carboxamide
CID 109203508
CID 175904297
CID 175904297
4-N-(3-bromophenyl)-6-N-butan-2-ylquinazoline-4,6-diamine
CID 152645355
1-N,1-N-diethyl-3-N-phenylbutane-1,3-diamine
CID 23009471
N-phenyl-3,4-di(propan-2-yl)aniline
CID 139833806

Frequently Asked Questions

What is the IUPAC name of 3-N-butan-2-yl-1-N-phenylbenzene-1,3-diamine?
The IUPAC name of 3-N-butan-2-yl-1-N-phenylbenzene-1,3-diamine (CID 70460627) is 3-N-butan-2-yl-1-N-phenylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-butan-2-yl-1-N-phenylbenzene-1,3-diamine?
The canonical SMILES for 3-N-butan-2-yl-1-N-phenylbenzene-1,3-diamine is CCC(C)Nc1cccc(Nc2ccccc2)c1.
What is the InChIKey of 3-N-butan-2-yl-1-N-phenylbenzene-1,3-diamine?
The InChIKey is RGAPFOLRSZUETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-3-13(2)17-15-10-7-11-16(12-15)18-14-8-5-4-6-9-14/h4-13,17-18H,3H2,1-2H3.
What are the key properties of 3-N-butan-2-yl-1-N-phenylbenzene-1,3-diamine?
3-N-butan-2-yl-1-N-phenylbenzene-1,3-diamine has a molecular weight of 240.35 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butan-2-yl-1-N-phenylbenzene-1,3-diamine is sourced from PubChem (CID 70460627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).