N'-[amino(phenyl)methyl]-1-(3,4-dihydronaphthalen-2-yl)methanediamine

C18H21N3 — CID 145085051

IUPACN'-[amino(phenyl)methyl]-1-(3,4-dihydronaphthalen-2-yl)methanediamine
SMILESNC(NC(N)c1ccccc1)C1=Cc2ccccc2CC1
InChIInChI=1S/C18H21N3/c19-17(14-7-2-1-3-8-14)21-18(20)16-11-10-13-6-4-5-9-15(13)12-16/h1-9,12,17-18,21H,10-11,19-20H2
InChIKeyNSCABLIKRCCAFH-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.55
Rot. Bonds4

About N'-[amino(phenyl)methyl]-1-(3,4-dihydronaphthalen-2-yl)methanediamine

N'-[amino(phenyl)methyl]-1-(3,4-dihydronaphthalen-2-yl)methanediamine (PubChem CID 145085051) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N'-[amino(phenyl)methyl]-1-(3,4-dihydronaphthalen-2-yl)methanediamine.

Molecular Properties

Compound NameN'-[amino(phenyl)methyl]-1-(3,4-dihydronaphthalen-2-yl)methanediamine
PubChem CID145085051
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN'-[amino(phenyl)methyl]-1-(3,4-dihydronaphthalen-2-yl)methanediamine
SMILESNC(NC(N)c1ccccc1)C1=Cc2ccccc2CC1
InChIInChI=1S/C18H21N3/c19-17(14-7-2-1-3-8-14)21-18(20)16-11-10-13-6-4-5-9-15(13)12-16/h1-9,12,17-18,21H,10-11,19-20H2
InChIKeyNSCABLIKRCCAFH-UHFFFAOYSA-N
XLogP2.55
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(1-cyclohexylethyl)-1,2-dihydronaphthalene
CID 20793781
4-[amino-[[amino(phenyl)methyl]amino]methyl]benzonitrile
CID 155017019
N-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-methoxy-2-phenylacetamide
CID 60602780
N-[2-(3,4-dihydronaphthalen-2-yl)propan-2-yl]-1-phenylmethanimine
CID 10978709
N'-(3,4-dihydronaphthalen-2-ylsulfonyl)benzohydrazide
CID 18190358
3,4-dihydronaphthalene-2-carbaldehyde;hydron
CID 174414426
1-(7-fluoro-3,4-dihydronaphthalen-2-yl)ethanamine
CID 105445138
3,4-dihydronaphthalene-2-sulfinate
CID 147568847
1-(3,4-dihydronaphthalen-2-yl)-N,N-dimethylmethanamine
CID 21062977
N'-benzhydrylmethanediamine
CID 142515957
(2R)-2-(3,4-dihydronaphthalen-2-ylsulfonylamino)pent-4-ynamide
CID 97057371
2-(4-phenylphenyl)-1H-indene;zirconium
CID 174373323

Frequently Asked Questions

What is the IUPAC name of N'-[amino(phenyl)methyl]-1-(3,4-dihydronaphthalen-2-yl)methanediamine?
The IUPAC name of N'-[amino(phenyl)methyl]-1-(3,4-dihydronaphthalen-2-yl)methanediamine (CID 145085051) is N'-[amino(phenyl)methyl]-1-(3,4-dihydronaphthalen-2-yl)methanediamine.
What is the SMILES notation for N'-[amino(phenyl)methyl]-1-(3,4-dihydronaphthalen-2-yl)methanediamine?
The canonical SMILES for N'-[amino(phenyl)methyl]-1-(3,4-dihydronaphthalen-2-yl)methanediamine is NC(NC(N)c1ccccc1)C1=Cc2ccccc2CC1.
What is the InChIKey of N'-[amino(phenyl)methyl]-1-(3,4-dihydronaphthalen-2-yl)methanediamine?
The InChIKey is NSCABLIKRCCAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c19-17(14-7-2-1-3-8-14)21-18(20)16-11-10-13-6-4-5-9-15(13)12-16/h1-9,12,17-18,21H,10-11,19-20H2.
What are the key properties of N'-[amino(phenyl)methyl]-1-(3,4-dihydronaphthalen-2-yl)methanediamine?
N'-[amino(phenyl)methyl]-1-(3,4-dihydronaphthalen-2-yl)methanediamine has a molecular weight of 279.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[amino(phenyl)methyl]-1-(3,4-dihydronaphthalen-2-yl)methanediamine is sourced from PubChem (CID 145085051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).