N,N-diethyl-3-phenylpropan-1-amine;hydrate

C13H23NO — CID 172794416

IUPACN,N-diethyl-3-phenylpropan-1-amine;hydrate
SMILESCCN(CC)CCCc1ccccc1.O
InChIInChI=1S/C13H21N.H2O/c1-3-14(4-2)12-8-11-13-9-6-5-7-10-13;/h5-7,9-10H,3-4,8,11-12H2,1-2H3;1H2
InChIKeyPZUXQVRPEFWQEB-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.14
Rot. Bonds6

About N,N-diethyl-3-phenylpropan-1-amine;hydrate

N,N-diethyl-3-phenylpropan-1-amine;hydrate (PubChem CID 172794416) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N,N-diethyl-3-phenylpropan-1-amine;hydrate.

Molecular Properties

Compound NameN,N-diethyl-3-phenylpropan-1-amine;hydrate
PubChem CID172794416
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN,N-diethyl-3-phenylpropan-1-amine;hydrate
SMILESCCN(CC)CCCc1ccccc1.O
InChIInChI=1S/C13H21N.H2O/c1-3-14(4-2)12-8-11-13-9-6-5-7-10-13;/h5-7,9-10H,3-4,8,11-12H2,1-2H3;1H2
InChIKeyPZUXQVRPEFWQEB-UHFFFAOYSA-N
XLogP2.14
TPSA34.74 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide
CID 175520694
N,N-diethyl-12-phenyldodecan-1-amine;hydrate
CID 173447962
N,N-diethyl-17-phenylheptadecan-1-amine;hydrochloride
CID 173450606
N,N-diethyl-12-phenyldodecan-1-amine;hydrochloride
CID 173450518
N,N-diethyl-14-phenyltetradecan-1-amine;N,N-dimethyl-14-phenyltetradecan-1-amine;dihydrate
CID 173448155
N'-ethyl-N'-(3-phenylpropyl)propane-1,3-diamine
CID 43137195
N'-ethyl-N,N-dimethyl-N'-(3-phenylpropyl)ethane-1,2-diamine
CID 2059221
1-[ethyl(3-phenylpropyl)amino]-2-methylpropan-2-ol
CID 78962338
N-(cyclopropylmethyl)-N-ethyl-3-phenylpropan-1-amine
CID 102476941
3-[ethyl(3-phenylpropyl)amino]-2-methylpropanenitrile
CID 61225285
2-[ethyl(4-phenylbutyl)amino]ethanol
CID 114334503
15-phenyl-N,N-dipropylpentadecan-1-amine;hydrate
CID 173447970

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-phenylpropan-1-amine;hydrate?
The IUPAC name of N,N-diethyl-3-phenylpropan-1-amine;hydrate (CID 172794416) is N,N-diethyl-3-phenylpropan-1-amine;hydrate.
What is the SMILES notation for N,N-diethyl-3-phenylpropan-1-amine;hydrate?
The canonical SMILES for N,N-diethyl-3-phenylpropan-1-amine;hydrate is CCN(CC)CCCc1ccccc1.O.
What is the InChIKey of N,N-diethyl-3-phenylpropan-1-amine;hydrate?
The InChIKey is PZUXQVRPEFWQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N.H2O/c1-3-14(4-2)12-8-11-13-9-6-5-7-10-13;/h5-7,9-10H,3-4,8,11-12H2,1-2H3;1H2.
What are the key properties of N,N-diethyl-3-phenylpropan-1-amine;hydrate?
N,N-diethyl-3-phenylpropan-1-amine;hydrate has a molecular weight of 209.33 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-phenylpropan-1-amine;hydrate is sourced from PubChem (CID 172794416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).