(2R)-N-[(4-propoxyphenyl)methyl]butan-2-amine

C14H23NO — CID 28610492

IUPAC(2R)-N-[(4-propoxyphenyl)methyl]butan-2-amine
SMILESCCCOc1ccc(CN[C@H](C)CC)cc1
InChIInChI=1S/C14H23NO/c1-4-10-16-14-8-6-13(7-9-14)11-15-12(3)5-2/h6-9,12,15H,4-5,10-11H2,1-3H3/t12-/m1/s1
InChIKeyPCSHKHMIBHVRCF-GFCCVEGCSA-N
MW221.34 g/mol
LogP3.36
Rot. Bonds7

About (2R)-N-[(4-propoxyphenyl)methyl]butan-2-amine

(2R)-N-[(4-propoxyphenyl)methyl]butan-2-amine (PubChem CID 28610492) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (2R)-N-[(4-propoxyphenyl)methyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(4-propoxyphenyl)methyl]butan-2-amine
PubChem CID28610492
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(2R)-N-[(4-propoxyphenyl)methyl]butan-2-amine
SMILESCCCOc1ccc(CN[C@H](C)CC)cc1
InChIInChI=1S/C14H23NO/c1-4-10-16-14-8-6-13(7-9-14)11-15-12(3)5-2/h6-9,12,15H,4-5,10-11H2,1-3H3/t12-/m1/s1
InChIKeyPCSHKHMIBHVRCF-GFCCVEGCSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 28610490
2-[(4-propoxyphenyl)methylamino]propan-1-ol
CID 43499524
4-methoxy-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 62733175
4-ethylsulfanyl-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 115660473
(2R)-2-N-[(4-butoxyphenyl)methyl]propane-1,2-diamine
CID 113498432
N-[(2S)-butan-2-yl]-4-(4-propoxyphenoxy)butan-1-amine
CID 2183457
(2S)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245142
2-[(4-propoxyphenyl)methylamino]propane-1,3-diol
CID 65312708
N-[(4-propoxyphenyl)methyl]pent-1-yn-3-amine
CID 106225407
N-[2-(4-propylphenoxy)ethyl]butan-2-amine
CID 62584206
(1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 81347006
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-propoxyphenyl)methyl]butan-2-amine?
The IUPAC name of (2R)-N-[(4-propoxyphenyl)methyl]butan-2-amine (CID 28610492) is (2R)-N-[(4-propoxyphenyl)methyl]butan-2-amine.
What is the SMILES notation for (2R)-N-[(4-propoxyphenyl)methyl]butan-2-amine?
The canonical SMILES for (2R)-N-[(4-propoxyphenyl)methyl]butan-2-amine is CCCOc1ccc(CN[C@H](C)CC)cc1.
What is the InChIKey of (2R)-N-[(4-propoxyphenyl)methyl]butan-2-amine?
The InChIKey is PCSHKHMIBHVRCF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-10-16-14-8-6-13(7-9-14)11-15-12(3)5-2/h6-9,12,15H,4-5,10-11H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-N-[(4-propoxyphenyl)methyl]butan-2-amine?
(2R)-N-[(4-propoxyphenyl)methyl]butan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-propoxyphenyl)methyl]butan-2-amine is sourced from PubChem (CID 28610492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).