4,4-dimethyl-1-(4-phenylmethoxyphenyl)pentane-2,3-diamine

C20H28N2O — CID 70090854

IUPAC4,4-dimethyl-1-(4-phenylmethoxyphenyl)pentane-2,3-diamine
SMILESCC(C)(C)C(N)C(N)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H28N2O/c1-20(2,3)19(22)18(21)13-15-9-11-17(12-10-15)23-14-16-7-5-4-6-8-16/h4-12,18-19H,13-14,21-22H2,1-3H3
InChIKeyADKIGWMUNWBXFC-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.51
Rot. Bonds6

About 4,4-dimethyl-1-(4-phenylmethoxyphenyl)pentane-2,3-diamine

4,4-dimethyl-1-(4-phenylmethoxyphenyl)pentane-2,3-diamine (PubChem CID 70090854) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 4,4-dimethyl-1-(4-phenylmethoxyphenyl)pentane-2,3-diamine.

Molecular Properties

Compound Name4,4-dimethyl-1-(4-phenylmethoxyphenyl)pentane-2,3-diamine
PubChem CID70090854
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name4,4-dimethyl-1-(4-phenylmethoxyphenyl)pentane-2,3-diamine
SMILESCC(C)(C)C(N)C(N)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H28N2O/c1-20(2,3)19(22)18(21)13-15-9-11-17(12-10-15)23-14-16-7-5-4-6-8-16/h4-12,18-19H,13-14,21-22H2,1-3H3
InChIKeyADKIGWMUNWBXFC-UHFFFAOYSA-N
XLogP3.51
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(4-phenylmethoxyphenyl)propane-1,1-diol
CID 130242612
(1S)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243441
methyl (2S,3S)-3-amino-2-hydroxy-4-(4-phenylmethoxyphenyl)butanoate
CID 10041390
(2R,4S,5S)-5-amino-4-hydroxy-6-(4-phenylmethoxyphenyl)-2-[(4-phenylmethoxyphenyl)methyl]hexanoic acid
CID 22874222
3-[(4-phenylmethoxyphenyl)methyl]pentane-2,4-dione
CID 10017465
1-(2-phenoxypropyl)-4-phenylmethoxybenzene
CID 150936303
1-O-(aminomethyl) 3-O-tert-butyl 2-[(4-phenylmethoxyphenyl)methyl]propanedioate
CID 174380677
(2R,3R)-4-[amino(benzyl)amino]-3-phenylmethoxy-1-(4-phenylmethoxyphenyl)butan-2-amine
CID 59131746
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-ol
CID 18927881
(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 70968645
methyl 2-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
CID 10493427

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(4-phenylmethoxyphenyl)pentane-2,3-diamine?
The IUPAC name of 4,4-dimethyl-1-(4-phenylmethoxyphenyl)pentane-2,3-diamine (CID 70090854) is 4,4-dimethyl-1-(4-phenylmethoxyphenyl)pentane-2,3-diamine.
What is the SMILES notation for 4,4-dimethyl-1-(4-phenylmethoxyphenyl)pentane-2,3-diamine?
The canonical SMILES for 4,4-dimethyl-1-(4-phenylmethoxyphenyl)pentane-2,3-diamine is CC(C)(C)C(N)C(N)Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4,4-dimethyl-1-(4-phenylmethoxyphenyl)pentane-2,3-diamine?
The InChIKey is ADKIGWMUNWBXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-20(2,3)19(22)18(21)13-15-9-11-17(12-10-15)23-14-16-7-5-4-6-8-16/h4-12,18-19H,13-14,21-22H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-(4-phenylmethoxyphenyl)pentane-2,3-diamine?
4,4-dimethyl-1-(4-phenylmethoxyphenyl)pentane-2,3-diamine has a molecular weight of 312.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(4-phenylmethoxyphenyl)pentane-2,3-diamine is sourced from PubChem (CID 70090854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).