(2R)-1-(3-butoxyphenyl)propan-2-amine

C13H21NO — CID 171719991

IUPAC(2R)-1-(3-butoxyphenyl)propan-2-amine
SMILESCCCCOc1cccc(C[C@@H](C)N)c1
InChIInChI=1S/C13H21NO/c1-3-4-8-15-13-7-5-6-12(10-13)9-11(2)14/h5-7,10-11H,3-4,8-9,14H2,1-2H3/t11-/m1/s1
InChIKeyQIIASUUDZXSKEK-LLVKDONJSA-N
MW207.32 g/mol
LogP2.76
Rot. Bonds6

About (2R)-1-(3-butoxyphenyl)propan-2-amine

(2R)-1-(3-butoxyphenyl)propan-2-amine (PubChem CID 171719991) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2R)-1-(3-butoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(3-butoxyphenyl)propan-2-amine
PubChem CID171719991
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2R)-1-(3-butoxyphenyl)propan-2-amine
SMILESCCCCOc1cccc(C[C@@H](C)N)c1
InChIInChI=1S/C13H21NO/c1-3-4-8-15-13-7-5-6-12(10-13)9-11(2)14/h5-7,10-11H,3-4,8-9,14H2,1-2H3/t11-/m1/s1
InChIKeyQIIASUUDZXSKEK-LLVKDONJSA-N
XLogP2.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-propan-2-ylsulfanylethoxy)phenyl]propan-2-amine
CID 114268788
1-[3-[2-(4-methoxyphenyl)ethoxy]phenyl]propan-2-amine
CID 65445918
1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine
CID 112591169
1-[3-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
CID 64566554
1-[3-(2-methylpropoxy)phenyl]propan-2-amine
CID 60907864
1-(3-pent-3-ynoxyphenyl)propan-2-amine
CID 104807762
1-[3-(methoxymethoxy)phenyl]propan-2-amine
CID 55253645
1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine
CID 63941952
methyl 2-amino-3-(3-pentoxyphenyl)propanoate
CID 170883873
1-[3-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63942734
1-[4-(2-butoxyethoxy)phenyl]propan-2-amine
CID 54956350
3-(3-butoxyphenyl)-2-thiophen-2-ylpropan-1-amine
CID 83975965

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-butoxyphenyl)propan-2-amine?
The IUPAC name of (2R)-1-(3-butoxyphenyl)propan-2-amine (CID 171719991) is (2R)-1-(3-butoxyphenyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(3-butoxyphenyl)propan-2-amine?
The canonical SMILES for (2R)-1-(3-butoxyphenyl)propan-2-amine is CCCCOc1cccc(C[C@@H](C)N)c1.
What is the InChIKey of (2R)-1-(3-butoxyphenyl)propan-2-amine?
The InChIKey is QIIASUUDZXSKEK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-4-8-15-13-7-5-6-12(10-13)9-11(2)14/h5-7,10-11H,3-4,8-9,14H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-1-(3-butoxyphenyl)propan-2-amine?
(2R)-1-(3-butoxyphenyl)propan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-butoxyphenyl)propan-2-amine is sourced from PubChem (CID 171719991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).