3-N-(1-phenylmethoxypropan-2-yl)butane-2,3-diamine

C14H24N2O — CID 130995877

IUPAC3-N-(1-phenylmethoxypropan-2-yl)butane-2,3-diamine
SMILESCC(COCc1ccccc1)NC(C)C(C)N
InChIInChI=1S/C14H24N2O/c1-11(16-13(3)12(2)15)9-17-10-14-7-5-4-6-8-14/h4-8,11-13,16H,9-10,15H2,1-3H3
InChIKeyNUVUWZNHTUCNOV-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.92
Rot. Bonds7

About 3-N-(1-phenylmethoxypropan-2-yl)butane-2,3-diamine

3-N-(1-phenylmethoxypropan-2-yl)butane-2,3-diamine (PubChem CID 130995877) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-N-(1-phenylmethoxypropan-2-yl)butane-2,3-diamine.

Molecular Properties

Compound Name3-N-(1-phenylmethoxypropan-2-yl)butane-2,3-diamine
PubChem CID130995877
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-N-(1-phenylmethoxypropan-2-yl)butane-2,3-diamine
SMILESCC(COCc1ccccc1)NC(C)C(C)N
InChIInChI=1S/C14H24N2O/c1-11(16-13(3)12(2)15)9-17-10-14-7-5-4-6-8-14/h4-8,11-13,16H,9-10,15H2,1-3H3
InChIKeyNUVUWZNHTUCNOV-UHFFFAOYSA-N
XLogP1.92
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-difluoro-N-(1-phenylmethoxypropan-2-yl)propan-2-amine
CID 130950125
3-amino-2-methyl-N-(1-phenylmethoxypropan-2-yl)butanamide
CID 120501631
4-methyl-1-phenylmethoxypentan-2-amine
CID 13228785
(2S)-4-methyl-1-phenylmethoxypentan-2-amine
CID 13228786
(2S)-4-methyl-1-phenylmethoxypentan-2-amine;sulfane
CID 158419681
2-methoxy-N-(1-phenylmethoxypropan-2-yl)propan-1-amine
CID 130921291
(2S)-2-amino-N-(1-phenylmethoxypropan-2-yl)propanamide;hydrochloride
CID 119335271
3-methyl-N-(1-phenylmethoxypropan-2-yl)but-2-en-1-amine
CID 131162694
1-phenyl-3-phenylmethoxypropan-2-amine
CID 12815227
2-amino-N-(1-phenylmethoxypropan-2-yl)acetamide
CID 119335277
(2S)-2-amino-3-phenylmethoxypropane-1-thiol
CID 87876386
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-phenylmethoxypropan-2-yl)butane-2,3-diamine?
The IUPAC name of 3-N-(1-phenylmethoxypropan-2-yl)butane-2,3-diamine (CID 130995877) is 3-N-(1-phenylmethoxypropan-2-yl)butane-2,3-diamine.
What is the SMILES notation for 3-N-(1-phenylmethoxypropan-2-yl)butane-2,3-diamine?
The canonical SMILES for 3-N-(1-phenylmethoxypropan-2-yl)butane-2,3-diamine is CC(COCc1ccccc1)NC(C)C(C)N.
What is the InChIKey of 3-N-(1-phenylmethoxypropan-2-yl)butane-2,3-diamine?
The InChIKey is NUVUWZNHTUCNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(16-13(3)12(2)15)9-17-10-14-7-5-4-6-8-14/h4-8,11-13,16H,9-10,15H2,1-3H3.
What are the key properties of 3-N-(1-phenylmethoxypropan-2-yl)butane-2,3-diamine?
3-N-(1-phenylmethoxypropan-2-yl)butane-2,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-phenylmethoxypropan-2-yl)butane-2,3-diamine is sourced from PubChem (CID 130995877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).